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

Systemtic Name: methyl 2-[[4-(3,5-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(3,5-dimethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3,5-dimethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(3,5-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3,5-dimethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)OC)C3=CN=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)OC)C3=CN=CC=C3)OC

InChI

InChI=1S/C18H18N4O4S/c1-24-14-7-13(8-15(9-14)25-2)22-17(12-5-4-6-19-10-12)20-21-18(22)27-11-16(23)26-3/h4-10H,11H2,1-3H3