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

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-4-cyano-benzamide Openeye Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-4-cyano-benzamide CAS Name: N-[3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]-4-cyanobenzamide IUPAC Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-4-cyanobenzamide Traditional Name: N-[3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-4-cyano-benzamide Formula: C17H12ClN5OS MolecularWeight: 369.82808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NNC(=N2)NC(=O)C3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NNC(=N2)NC(=O)C3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C17H12ClN5OS/c18-14-7-3-12(4-8-14)10-25-17-21-16(22-23-17)20-15(24)13-5-1-11(9-19)2-6-13/h1-8H,10H2,(H2,20,21,22,23,24)