4-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[1-(m-tolyl)tetrazol-5-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[1-(3-methylphenyl)-5-tetrazolyl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[1-(m-tolyl)tetrazol-5-yl]thio]methyl]-N-phenyl-benzamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H19N5OS/c1-16-6-5-9-20(14-16)27-22(24-25-26-27)29-15-17-10-12-18(13-11-17)21(28)23-19-7-3-2-4-8-19/h2-14H,15H2,1H3,(H,23,28)