ethyl 3-oxidanylidene-2-(1,2,4-triazol-4-ylcarbamothioylsulfanyl)butanoate

Systemtic Name: ethyl 3-oxidanylidene-2-(1,2,4-triazol-4-ylcarbamothioylsulfanyl)butanoate Openeye Name: ethyl 3-oxo-2-(1,2,4-triazol-4-ylcarbamothioylsulfanyl)butanoate CAS Name: 3-oxo-2-[[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-2-(1,2,4-triazol-4-ylcarbamothioylsulfanyl)butanoate Traditional Name: 3-keto-2-(1,2,4-triazol-4-ylthiocarbamoylthio)butyric acid ethyl ester Formula: C9H12N4O3S2 MolecularWeight: 288.34658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC(=S)NN1C=NN=C1

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC(=S)NN1C=NN=C1

InChI

InChI=1S/C9H12N4O3S2/c1-3-16-8(15)7(6(2)14)18-9(17)12-13-4-10-11-5-13/h4-5,7H,3H2,1-2H3,(H,12,17)