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

Systemtic Name: cyclohexyl 2-[[5-[(3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[5-[(3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[5-[(3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC4CCCCC4

InChI

InChI=1S/C24H27N3O3S/c1-18-9-8-14-21(15-18)29-16-22-25-26-24(27(22)19-10-4-2-5-11-19)31-17-23(28)30-20-12-6-3-7-13-20/h2,4-5,8-11,14-15,20H,3,6-7,12-13,16-17H2,1H3