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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C18H19N4O3S+ MolecularWeight: 371.43346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3)OC

InChI

InChI=1S/C18H18N4O3S/c1-24-15-9-8-13(10-16(15)25-2)21-17(23)11-26-18-19-12-20-22(18)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,23)/p+1