2-[2-(4-methylphenyl)sulfanyl-1-(3-nitrophenyl)-3-oxidanylidene-3-phenyl-propyl]propanedinitrile

Systemtic Name: 2-[2-(4-methylphenyl)sulfanyl-1-(3-nitrophenyl)-3-oxidanylidene-3-phenyl-propyl]propanedinitrile Openeye Name: 2-[1-(3-nitrophenyl)-3-oxo-3-phenyl-2-(p-tolylsulfanyl)propyl]propanedinitrile CAS Name: 2-[2-[(4-methylphenyl)thio]-1-(3-nitrophenyl)-3-oxo-3-phenylpropyl]propanedinitrile IUPAC Name: 2-[2-(4-methylphenyl)sulfanyl-1-(3-nitrophenyl)-3-oxo-3-phenylpropyl]propanedinitrile Traditional Name: 2-[3-keto-1-(3-nitrophenyl)-3-phenyl-2-(p-tolylthio)propyl]malononitrile Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C(C2=CC(=CC=C2)[N+](=O)[O-])C(C#N)C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC(C(C2=CC(=CC=C2)[N+](=O)[O-])C(C#N)C#N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H19N3O3S/c1-17-10-12-22(13-11-17)32-25(24(29)18-6-3-2-4-7-18)23(20(15-26)16-27)19-8-5-9-21(14-19)28(30)31/h2-14,20,23,25H,1H3