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

Systemtic Name: N-(3-methyl-4-oxidanyl-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-hydroxy-3-methyl-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-(4-hydroxy-3-methylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(4-hydroxy-3-methylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(4-hydroxy-3-methyl-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C17H17N4O2S+ MolecularWeight: 341.40748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3)O

InChI

InChI=1S/C17H16N4O2S/c1-12-9-13(7-8-15(12)22)20-16(23)10-24-17-18-11-19-21(17)14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H2,20,22,23)/p+1