2-[(S)-(3-chlorophenyl)-[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methyl]propanedinitrile

Systemtic Name: 2-[(S)-(3-chlorophenyl)-[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methyl]propanedinitrile Openeye Name: 2-[(S)-(3-chlorophenyl)-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]propanedinitrile CAS Name: 2-[(S)-(3-chlorophenyl)-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]propanedinitrile IUPAC Name: 2-[(S)-(3-chlorophenyl)-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]propanedinitrile Traditional Name: 2-[(S)-(3-chlorophenyl)-[(4R)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]methyl]malononitrile Formula: C20H15ClN4O MolecularWeight: 362.8123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C2=CC(=CC=C2)Cl)C(C#N)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1[C@@H](C2=CC(=CC=C2)Cl)C(C#N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H15ClN4O/c1-13-18(20(26)25(24-13)17-8-3-2-4-9-17)19(15(11-22)12-23)14-6-5-7-16(21)10-14/h2-10,15,18-19H,1H3/t18-,19-/m0/s1