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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2C(C3=CC=CC=C3)C(C#N)C#N)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)[C@@H]2[C@H](C3=CC=CC=C3)C(C#N)C#N)C(=S)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/h1-10,15-17H,(H2,23,27)/t16-,17-/m1/s1