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

Systemtic Name: cyclohexyl 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O2S/c23-17-13-11-16(12-14-17)21-24-25-22(26(21)18-7-3-1-4-8-18)29-15-20(27)28-19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2