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

Systemtic Name: methyl 3-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCCC(=O)OC)OC

InChI

InChI=1S/C20H27N3O4S/c1-25-16-10-9-14(13-17(16)26-2)19-21-22-20(28-12-11-18(24)27-3)23(19)15-7-5-4-6-8-15/h9-10,13,15H,4-8,11-12H2,1-3H3