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

Systemtic Name: ethyl 3-[[4-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 3-[[4-(2-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-(2-methoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-(2-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NN=C(N1C2=CC=CC=C2OC)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CCSC1=NN=C(N1C2=CC=CC=C2OC)C3=CN=CC=C3

InChI

InChI=1S/C19H20N4O3S/c1-3-26-17(24)10-12-27-19-22-21-18(14-7-6-11-20-13-14)23(19)15-8-4-5-9-16(15)25-2/h4-9,11,13H,3,10,12H2,1-2H3