N,3-dimethyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide

Systemtic Name: N,3-dimethyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: N,3-dimethyl-5-oxo-4H-pyrazole-1-carbothioamide CAS Name: N,3-dimethyl-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: N,3-dimethyl-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: 5-keto-N,3-dimethyl-2-pyrazoline-1-carbothioamide Formula: C6H9N3OS MolecularWeight: 171.22016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C(=S)NC

Isomeric SMILES

CC1=NN(C(=O)C1)C(=S)NC

InChI

InChI=1S/C6H9N3OS/c1-4-3-5(10)9(8-4)6(11)7-2/h3H2,1-2H3,(H,7,11)