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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)NC(=O)C3=CC(=CC=C3)CSC4=NNC(=N4)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)NC(=O)C3=CC(=CC=C3)CSC4=NNC(=N4)N

InChI

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