2-(2,4-dichlorophenyl)-4-(2-nitro-5-oxidanyl-phenyl)sulfanyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(2,4-dichlorophenyl)-4-(2-nitro-5-oxidanyl-phenyl)sulfanyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-(2,4-dichlorophenyl)-4-(5-hydroxy-2-nitro-phenyl)sulfanyl-3-oxo-pentanenitrile CAS Name: 2-(2,4-dichlorophenyl)-4-[(5-hydroxy-2-nitrophenyl)thio]-3-oxopentanenitrile IUPAC Name: 2-(2,4-dichlorophenyl)-4-(5-hydroxy-2-nitrophenyl)sulfanyl-3-oxopentanenitrile Traditional Name: 2-(2,4-dichlorophenyl)-4-[(5-hydroxy-2-nitro-phenyl)thio]-3-keto-valeronitrile Formula: C17H12Cl2N2O4S MolecularWeight: 411.25918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C#N)C1=C(C=C(C=C1)Cl)Cl)SC2=C(C=CC(=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C(C#N)C1=C(C=C(C=C1)Cl)Cl)SC2=C(C=CC(=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C17H12Cl2N2O4S/c1-9(26-16-7-11(22)3-5-15(16)21(24)25)17(23)13(8-20)12-4-2-10(18)6-14(12)19/h2-7,9,13,22H,1H3