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

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-phenylsulfanylphenyl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-phenylsulfanylphenyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-[4-(phenylthio)phenyl]benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-phenylsulfanylphenyl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-[4-(phenylthio)phenyl]benzamide Formula: C22H19N5OS2 MolecularWeight: 433.54916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)CSC4=NNC(=N4)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)CSC4=NNC(=N4)N

InChI

InChI=1S/C22H19N5OS2/c23-21-25-22(27-26-21)29-14-15-5-4-6-16(13-15)20(28)24-17-9-11-19(12-10-17)30-18-7-2-1-3-8-18/h1-13H,14H2,(H,24,28)(H3,23,25,26,27)