4-butyl-3-oxidanylidene-1H-pyrazole-2-carbothioamide

Systemtic Name: 4-butyl-3-oxidanylidene-1H-pyrazole-2-carbothioamide Openeye Name: 4-butyl-3-oxo-1H-pyrazole-2-carbothioamide CAS Name: 4-butyl-3-oxo-1H-pyrazole-2-carbothioamide IUPAC Name: 4-butyl-3-oxo-1H-pyrazole-2-carbothioamide Traditional Name: 4-butyl-5-keto-3-pyrazoline-1-carbothioamide Formula: C8H13N3OS MolecularWeight: 199.27332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CNN(C1=O)C(=S)N

Isomeric SMILES

CCCCC1=CNN(C1=O)C(=S)N

InChI

InChI=1S/C8H13N3OS/c1-2-3-4-6-5-10-11(7(6)12)8(9)13/h5,10H,2-4H2,1H3,(H2,9,13)