ethyl 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)Cl)C3CCCCC3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)Cl)C3CCCCC3

InChI

InChI=1S/C18H22ClN3O2S/c1-2-24-16(23)12-25-18-21-20-17(13-7-4-3-5-8-13)22(18)15-10-6-9-14(19)11-15/h6,9-11,13H,2-5,7-8,12H2,1H3