N-(2,5-dimethoxyphenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-(2,5-dimethoxyphenyl)acetamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O3S/c1-4-14-27-21(13-10-17-8-6-5-7-9-17)25-26-23(27)31-16-22(28)24-19-15-18(29-2)11-12-20(19)30-3/h4-9,11-12,15H,1,10,13-14,16H2,2-3H3,(H,24,28)