2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-(2,4-dimethylphenoxy)ethyl]ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-(2,4-dimethylphenoxy)ethyl]ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H21ClN4O2S/c1-13-3-8-17(14(2)11-13)27-10-9-22-18(26)12-25-19(23-24-20(25)28)15-4-6-16(21)7-5-15/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)(H,24,28)