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

Systemtic Name: methyl 2-[[4-cyclohexyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-cyclohexyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyclohexyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-cyclohexyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-cyclohexyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C3CCCCC3)SCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C3CCCCC3)SCC(=O)OC

InChI

InChI=1S/C19H25N3O3S/c1-14-8-6-7-11-16(14)25-12-17-20-21-19(26-13-18(23)24-2)22(17)15-9-4-3-5-10-15/h6-8,11,15H,3-5,9-10,12-13H2,1-2H3