N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2OC)Cl)OC)CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2OC)Cl)OC)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23ClN4O3S/c1-26-19(10-9-14-7-5-4-6-8-14)24-25-21(26)30-13-20(27)23-16-12-17(28-2)15(22)11-18(16)29-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,23,27)