3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-isoquinolin-5-yl-benzamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-isoquinolin-5-yl-benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(5-isoquinolyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(5-isoquinolinyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-isoquinolin-5-ylbenzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(5-isoquinolyl)benzamide Formula: C19H16N6OS MolecularWeight: 376.43494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NNC(=N2)N)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NNC(=N2)N)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C19H16N6OS/c20-18-23-19(25-24-18)27-11-12-3-1-4-13(9-12)17(26)22-16-6-2-5-14-10-21-8-7-15(14)16/h1-10H,11H2,(H,22,26)(H3,20,23,24,25)