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

Systemtic Name: ethyl 4-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyric acid ethyl ester Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NN=C(N1N)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NN=C(N1N)C2=CC=NC=C2

InChI

InChI=1S/C13H15N5O3S/c1-2-21-11(20)7-10(19)8-22-13-17-16-12(18(13)14)9-3-5-15-6-4-9/h3-6H,2,7-8,14H2,1H3