2-(cyanomethylsulfanyl)-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide CAS Name: 2-(cyanomethylthio)-N-[3-(1-tetrazolyl)phenyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide Traditional Name: 2-(cyanomethylthio)-N-[3-(tetrazol-1-yl)phenyl]benzamide Formula: C16H12N6OS MolecularWeight: 336.37108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)N3C=NN=N3)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)N3C=NN=N3)SCC#N

InChI

InChI=1S/C16H12N6OS/c17-8-9-24-15-7-2-1-6-14(15)16(23)19-12-4-3-5-13(10-12)22-11-18-20-21-22/h1-7,10-11H,9H2,(H,19,23)