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

Systemtic Name: ethyl 2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: ethyl 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NN=C(N1N)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)C(C)SC1=NN=C(N1N)C2=CC=NC=C2

InChI

InChI=1S/C12H15N5O2S/c1-3-19-11(18)8(2)20-12-16-15-10(17(12)13)9-4-6-14-7-5-9/h4-8H,3,13H2,1-2H3