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

Systemtic Name: ethyl 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanoate Traditional Name: 3-keto-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NN=C(N1C)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NN=C(N1C)C2=CC=NC=C2

InChI

InChI=1S/C14H16N4O3S/c1-3-21-12(20)8-11(19)9-22-14-17-16-13(18(14)2)10-4-6-15-7-5-10/h4-7H,3,8-9H2,1-2H3