N-(2-methylphenyl)-3-[(1-phenyl-2H-1,2,3,4-tetrazol-1-ium-5-yl)sulfanyl]propanamide

Systemtic Name: N-(2-methylphenyl)-3-[(1-phenyl-2H-1,2,3,4-tetrazol-1-ium-5-yl)sulfanyl]propanamide Openeye Name: N-(o-tolyl)-3-[(1-phenyl-2H-tetrazol-1-ium-5-yl)sulfanyl]propanamide CAS Name: N-(2-methylphenyl)-3-[(1-phenyl-2H-tetrazol-1-ium-5-yl)thio]propanamide IUPAC Name: N-(2-methylphenyl)-3-[(1-phenyl-2H-tetrazol-1-ium-5-yl)sulfanyl]propanamide Traditional Name: N-(o-tolyl)-3-[(1-phenyl-2H-tetrazol-1-ium-5-yl)thio]propionamide Formula: C17H18N5OS+ MolecularWeight: 340.42272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCSC2=[N+](NN=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCSC2=[N+](NN=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H17N5OS/c1-13-7-5-6-10-15(13)18-16(23)11-12-24-17-19-20-21-22(17)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,23)/p+1