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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl)C#N

InChI

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