4-(2,2-dicyano-1-phenyl-ethyl)-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide

Systemtic Name: 4-(2,2-dicyano-1-phenyl-ethyl)-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: 4-(2,2-dicyano-1-phenyl-ethyl)-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide CAS Name: 4-(2,2-dicyano-1-phenylethyl)-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: 4-(2,2-dicyano-1-phenylethyl)-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: 4-(2,2-dicyano-1-phenyl-ethyl)-5-keto-3-methyl-2-pyrazoline-1-carbothioamide Formula: C15H13N5OS MolecularWeight: 311.36162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C2=CC=CC=C2)C(C#N)C#N)C(=S)N

Isomeric SMILES

CC1=NN(C(=O)C1C(C2=CC=CC=C2)C(C#N)C#N)C(=S)N

InChI

InChI=1S/C15H13N5OS/c1-9-12(14(21)20(19-9)15(18)22)13(11(7-16)8-17)10-5-3-2-4-6-10/h2-6,11-13H,1H3,(H2,18,22)