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

Systemtic Name: N-(4-methylphenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Openeye Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(p-tolyl)propanamide CAS Name: N-(4-methylphenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]propanamide IUPAC Name: N-(4-methylphenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Traditional Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-(p-tolyl)propionamide Formula: C18H19N4OS+ MolecularWeight: 339.43466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCSC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCSC2=[N+](NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4OS/c1-14-7-9-15(10-8-14)21-17(23)11-12-24-18-19-13-20-22(18)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,21,23)/p+1