4-cyano-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]benzamide

Systemtic Name: 4-cyano-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-cyano-benzamide CAS Name: 4-cyano-N-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-cyanobenzamide Traditional Name: N-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-4-cyano-benzamide Formula: C17H13N5OS MolecularWeight: 335.38302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=N2)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=N2)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H13N5OS/c18-10-12-6-8-14(9-7-12)15(23)19-16-20-17(22-21-16)24-11-13-4-2-1-3-5-13/h1-9H,11H2,(H2,19,20,21,22,23)