5-(3-methylbutyl)-3-oxidanylidene-1H-pyrazole-2-carbothioamide

Systemtic Name: 5-(3-methylbutyl)-3-oxidanylidene-1H-pyrazole-2-carbothioamide Openeye Name: 5-isopentyl-3-oxo-1H-pyrazole-2-carbothioamide CAS Name: 5-(3-methylbutyl)-3-oxo-1H-pyrazole-2-carbothioamide IUPAC Name: 5-(3-methylbutyl)-3-oxo-1H-pyrazole-2-carbothioamide Traditional Name: 3-isoamyl-5-keto-3-pyrazoline-1-carbothioamide Formula: C9H15N3OS MolecularWeight: 213.2999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC(=O)N(N1)C(=S)N

Isomeric SMILES

CC(C)CCC1=CC(=O)N(N1)C(=S)N

InChI

InChI=1S/C9H15N3OS/c1-6(2)3-4-7-5-8(13)12(11-7)9(10)14/h5-6,11H,3-4H2,1-2H3,(H2,10,14)