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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C(=S)N)C(C2=CC=CC=C2)C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C(=S)N)C(C2=CC=CC=C2)C(C#N)C#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/h2-6,11,13,19H,1H3,(H2,18,22)