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

Systemtic Name: methyl 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]butyric acid methyl ester Formula: C11H19N3O3S MolecularWeight: 273.35186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(CC)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(CC)C(=O)OC

InChI

InChI=1S/C11H19N3O3S/c1-4-6-7-14-10(16)12-13-11(14)18-8(5-2)9(15)17-3/h8H,4-7H2,1-3H3,(H,12,16)