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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN3O2S/c17-12-8-6-11(7-9-12)15-18-19-16(23-10-14(21)22)20(15)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,21,22)