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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H22N4O3S/c1-4-18-22-23-20(24(18)15-8-6-5-7-9-15)28-13-19(25)21-14-10-11-16(26-2)17(12-14)27-3/h5-12H,4,13H2,1-3H3,(H,21,25)