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2-(1H-Indazol-6-Ylsulfanyl)-N-Methylbenzamide
PharmaCompass
2-(1H-Indazol-6-Ylsulfanyl)-N-Methylbenzamide
Also known as: 944835-85-2, 2-(1h-indazol-6-ylthio)-n-methylbenzamide, 2-(1h-indazol-6-ylthio)-n-methyl-benzamide, 2-((1h-indazol-6-yl)thio)-n-methylbenzamide, Benzamide, 2-(1h-indazol-6-ylthio)-n-methyl-, Schembl13446109
Molecular Formula
C15H13N3OS
Molecular Weight
283.349  g/mol
InChI Key
JBFLDDCNCFRBIG-UHFFFAOYSA-N

1 2D Structure

2-(1H-Indazol-6-Ylsulfanyl)-N-Methylbenzamide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide
2.1.2 InChI
InChI=1S/C15H13N3OS/c1-16-15(19)12-4-2-3-5-14(12)20-11-7-6-10-9-17-18-13(10)8-11/h2-9H,1H3,(H,16,19)(H,17,18)
2.1.3 InChI Key
JBFLDDCNCFRBIG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C=NN3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 944835-85-2

2. 2-(1h-indazol-6-ylthio)-n-methylbenzamide

3. 2-(1h-indazol-6-ylthio)-n-methyl-benzamide

4. 2-((1h-indazol-6-yl)thio)-n-methylbenzamide

5. Benzamide, 2-(1h-indazol-6-ylthio)-n-methyl-

6. Schembl13446109

7. 2-(1h-indazol-6-ylthio)-n-methyl

8. Mfcd23104312

9. Zinc34639527

10. Akos027339737

11. Acn-027480

12. Ak342745

13. L-1498

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 283.349 g/mol
Molecular Formula C15H13N3OS
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass283.078 g/mol
Monoisotopic Mass283.078 g/mol
Topological Polar Surface Area83.1 A^2
Heavy Atom Count20
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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