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

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2,5-dimethoxyphenyl)acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H22N4O3S/c1-27-16-10-11-18(28-2)17(12-16)22-19(26)13-29-21-24-23-20(14-8-9-14)25(21)15-6-4-3-5-7-15/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,22,26)