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

Systemtic Name: propan-2-yl 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: isopropyl 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetic acid isopropyl ester Formula: C11H19N3O3S MolecularWeight: 273.35186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)OC(C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)OC(C)C

InChI

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