2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: N-p-cumenyl-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C19H21N4OS+ MolecularWeight: 353.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4OS/c1-14(2)15-8-10-16(11-9-15)22-18(24)12-25-19-20-13-21-23(19)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,22,24)/p+1