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

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H18ClN3O2S MolecularWeight: 351.85102

Click to see the large picture

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)