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

Systemtic Name: methyl 2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3CCCCC3

InChI

InChI=1S/C18H23N3O3S/c1-23-15-10-8-14(9-11-15)21-17(13-6-4-3-5-7-13)19-20-18(21)25-12-16(22)24-2/h8-11,13H,3-7,12H2,1-2H3