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

Systemtic Name: ethyl 3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: ethyl 3-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NN=C(N1C)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CCSC1=NN=C(N1C)C2=CN=CC=C2

InChI

InChI=1S/C13H16N4O2S/c1-3-19-11(18)6-8-20-13-16-15-12(17(13)2)10-5-4-7-14-9-10/h4-5,7,9H,3,6,8H2,1-2H3