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

Systemtic Name: cyclohexyl 2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC4CCCCC4

InChI

InChI=1S/C23H25N3O2S/c1-17-10-8-9-15-20(17)22-24-25-23(26(22)18-11-4-2-5-12-18)29-16-21(27)28-19-13-6-3-7-14-19/h2,4-5,8-12,15,19H,3,6-7,13-14,16H2,1H3