5-tert-butyl-3-oxidanylidene-1H-pyrazole-2-carbothioamide

Systemtic Name: 5-tert-butyl-3-oxidanylidene-1H-pyrazole-2-carbothioamide Openeye Name: 5-tert-butyl-3-oxo-1H-pyrazole-2-carbothioamide CAS Name: 5-tert-butyl-3-oxo-1H-pyrazole-2-carbothioamide IUPAC Name: 5-tert-butyl-3-oxo-1H-pyrazole-2-carbothioamide Traditional Name: 3-tert-butyl-5-keto-3-pyrazoline-1-carbothioamide Formula: C8H13N3OS MolecularWeight: 199.27332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N(N1)C(=S)N

Isomeric SMILES

CC(C)(C)C1=CC(=O)N(N1)C(=S)N

InChI

InChI=1S/C8H13N3OS/c1-8(2,3)5-4-6(12)11(10-5)7(9)13/h4,10H,1-3H3,(H2,9,13)