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

Systemtic Name: 4-cyclopropyl-3-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-(3,3-dimethyl-2-oxo-butyl)sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[(3,3-dimethyl-2-oxobutyl)thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[(2-keto-3,3-dimethyl-butyl)thio]-1H-1,2,4-triazol-5-one Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NNC(=O)N1C2CC2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NNC(=O)N1C2CC2

InChI

InChI=1S/C11H17N3O2S/c1-11(2,3)8(15)6-17-10-13-12-9(16)14(10)7-4-5-7/h7H,4-6H2,1-3H3,(H,12,16)