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

Systemtic Name: 4-(2,2-dicyano-1-phenyl-ethyl)-3-oxidanylidene-5-phenyl-1H-pyrazole-2-carbothioamide Openeye Name: 4-(2,2-dicyano-1-phenyl-ethyl)-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide CAS Name: 4-(2,2-dicyano-1-phenylethyl)-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide IUPAC Name: 4-(2,2-dicyano-1-phenylethyl)-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide Traditional Name: 4-(2,2-dicyano-1-phenyl-ethyl)-5-keto-3-phenyl-3-pyrazoline-1-carbothioamide Formula: C20H15N5OS MolecularWeight: 373.431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(N2)C(=S)N)C(C3=CC=CC=C3)C(C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(N2)C(=S)N)C(C3=CC=CC=C3)C(C#N)C#N

InChI

InChI=1S/C20H15N5OS/c21-11-15(12-22)16(13-7-3-1-4-8-13)17-18(14-9-5-2-6-10-14)24-25(19(17)26)20(23)27/h1-10,15-16,24H,(H2,23,27)