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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)OC3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)OC3CCCCC3

InChI

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