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

Systemtic Name: methyl 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=NC=C3

Isomeric SMILES

CC(C(=O)OC)SC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=NC=C3

InChI

InChI=1S/C18H18N4O3S/c1-12(17(23)25-3)26-18-21-20-16(13-8-10-19-11-9-13)22(18)14-4-6-15(24-2)7-5-14/h4-12H,1-3H3