3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-quinolin-6-yl-benzamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-quinolin-6-yl-benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(6-quinolyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(6-quinolinyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-quinolin-6-ylbenzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(6-quinolyl)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=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NNC(=N2)N)C(=O)NC3=CC4=C(C=C3)N=CC=C4

InChI

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