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

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 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]acetate IUPAC Name: 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]acetate Formula: C16H17ClN3O2S- MolecularWeight: 350.84308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCC(=O)[O-]

InChI

InChI=1S/C16H18ClN3O2S/c17-12-7-4-8-13(9-12)20-15(11-5-2-1-3-6-11)18-19-16(20)23-10-14(21)22/h4,7-9,11H,1-3,5-6,10H2,(H,21,22)/p-1