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

Systemtic Name: cyclohexyl 2-[[5-[[(3-chlorophenyl)amino]methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[5-[(3-chloroanilino)methyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(3-chloroanilino)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[5-[(3-chloroanilino)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(3-chloroanilino)methyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C24H27ClN4O2S MolecularWeight: 471.01478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC3CCCCC3)CNC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC3CCCCC3)CNC4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H27ClN4O2S/c1-17-10-12-20(13-11-17)29-22(15-26-19-7-5-6-18(25)14-19)27-28-24(29)32-16-23(30)31-21-8-3-2-4-9-21/h5-7,10-14,21,26H,2-4,8-9,15-16H2,1H3