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

Systemtic Name: methyl 2-[[4-cyclohexyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-cyclohexyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyclohexyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-cyclohexyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-cyclohexyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)OC

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)OC

InChI

InChI=1S/C20H27N3O3S/c1-14(2)26-17-11-7-8-15(12-17)19-21-22-20(27-13-18(24)25-3)23(19)16-9-5-4-6-10-16/h7-8,11-12,14,16H,4-6,9-10,13H2,1-3H3