5-(3-nitrophenyl)-5-oxidanylidene-3-phenyl-2-phenylsulfanyl-pentanenitrile

Systemtic Name: 5-(3-nitrophenyl)-5-oxidanylidene-3-phenyl-2-phenylsulfanyl-pentanenitrile Openeye Name: 5-(3-nitrophenyl)-5-oxo-3-phenyl-2-phenylsulfanyl-pentanenitrile CAS Name: 5-(3-nitrophenyl)-5-oxo-3-phenyl-2-(phenylthio)pentanenitrile IUPAC Name: 5-(3-nitrophenyl)-5-oxo-3-phenyl-2-phenylsulfanylpentanenitrile Traditional Name: 5-keto-5-(3-nitrophenyl)-3-phenyl-2-(phenylthio)valeronitrile Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(C#N)SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(C#N)SC3=CC=CC=C3

InChI

InChI=1S/C23H18N2O3S/c24-16-23(29-20-12-5-2-6-13-20)21(17-8-3-1-4-9-17)15-22(26)18-10-7-11-19(14-18)25(27)28/h1-14,21,23H,15H2