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

Systemtic Name: 2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide CAS Name: 2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2,4-dimethoxyphenyl)acetamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S/c1-4-10-26-20(14-6-5-7-15(22)11-14)24-25-21(26)30-13-19(27)23-17-9-8-16(28-2)12-18(17)29-3/h4-9,11-12H,1,10,13H2,2-3H3,(H,23,27)