methyl 3-oxidanylidene-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanoate

Systemtic Name: methyl 3-oxidanylidene-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanoate Openeye Name: methyl 3-oxo-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanoate CAS Name: 3-oxo-4-(1H-1,2,4-triazol-5-ylthio)butanoic acid methyl ester IUPAC Name: methyl 3-oxo-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanoate Traditional Name: 3-keto-4-(1H-1,2,4-triazol-5-ylthio)butyric acid methyl ester Formula: C7H9N3O3S MolecularWeight: 215.22966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSC1=NC=NN1

Isomeric SMILES

COC(=O)CC(=O)CSC1=NC=NN1

InChI

InChI=1S/C7H9N3O3S/c1-13-6(12)2-5(11)3-14-7-8-4-9-10-7/h4H,2-3H2,1H3,(H,8,9,10)