3-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(3,3-dimethyl-2-oxobutyl)thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-keto-3,3-dimethyl-butyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C11H19N3O2S MolecularWeight: 257.35246

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C(C)(C)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C(C)(C)C

InChI

InChI=1S/C11H19N3O2S/c1-5-6-14-9(16)12-13-10(14)17-7-8(15)11(2,3)4/h5-7H2,1-4H3,(H,12,16)