2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C19H21N4O4S+ MolecularWeight: 401.45944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O4S/c1-25-15-9-13(10-16(26-2)18(15)27-3)22-17(24)11-28-19-20-12-21-23(19)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,22,24)/p+1