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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC(=CC(=C3)OC)OC

InChI

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