2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-veratryl-acetamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H24N4O3S/c1-28-18-11-8-15(12-19(18)29-2)13-23-20(27)14-30-22-24-21(16-9-10-16)26(25-22)17-6-4-3-5-7-17/h3-8,11-12,16H,9-10,13-14H2,1-2H3,(H,23,27)