3-bromanyl-2-[4-(4-chloranyl-2-nitro-phenyl)-2,6-bis(oxidanylidene)cyclohexyl]-5-methylsulfinyl-benzenecarbonitrile

Systemtic Name: 3-bromanyl-2-[4-(4-chloranyl-2-nitro-phenyl)-2,6-bis(oxidanylidene)cyclohexyl]-5-methylsulfinyl-benzenecarbonitrile Openeye Name: 3-bromo-2-[4-(4-chloro-2-nitro-phenyl)-2,6-dioxo-cyclohexyl]-5-methylsulfinyl-benzonitrile CAS Name: 3-bromo-2-[4-(4-chloro-2-nitrophenyl)-2,6-dioxocyclohexyl]-5-methylsulfinylbenzonitrile IUPAC Name: 3-bromo-2-[4-(4-chloro-2-nitrophenyl)-2,6-dioxocyclohexyl]-5-methylsulfinylbenzonitrile Traditional Name: 3-bromo-2-[4-(4-chloro-2-nitro-phenyl)-2,6-diketo-cyclohexyl]-5-methylsulfinyl-benzonitrile Formula: C20H14BrClN2O5S MolecularWeight: 509.75756

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC(=C(C(=C1)C#N)C2C(=O)CC(CC2=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])Br

Isomeric SMILES

CS(=O)C1=CC(=C(C(=C1)C#N)C2C(=O)CC(CC2=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C20H14BrClN2O5S/c1-30(29)13-4-11(9-23)19(15(21)8-13)20-17(25)5-10(6-18(20)26)14-3-2-12(22)7-16(14)24(27)28/h2-4,7-8,10,20H,5-6H2,1H3