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

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

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