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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=S)N(C(=N1)C2=CC=CC=C2OC)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CCN1C(=S)N(C(=N1)C2=CC=CC=C2OC)C3=CN=CC=C3

InChI

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