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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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