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

Systemtic Name: methyl 2-[[4-cyclohexyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-cyclohexyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyclohexyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-cyclohexyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-cyclohexyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCC(=O)OC

InChI

InChI=1S/C18H23N3O2S/c1-13-8-6-7-11-15(13)17-19-20-18(24-12-16(22)23-2)21(17)14-9-4-3-5-10-14/h6-8,11,14H,3-5,9-10,12H2,1-2H3