3-[6,6-bis(bromanyl)hexylsulfonyl]-4-[5-(3-bromanyl-5-nitro-phenyl)-1-ethynyl-4-oxidanylidene-pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 3-[6,6-bis(bromanyl)hexylsulfonyl]-4-[5-(3-bromanyl-5-nitro-phenyl)-1-ethynyl-4-oxidanylidene-pyridin-3-yl]benzenecarbonitrile Openeye Name: 4-[5-(3-bromo-5-nitro-phenyl)-1-ethynyl-4-oxo-3-pyridyl]-3-(6,6-dibromohexylsulfonyl)benzonitrile CAS Name: 4-[5-(3-bromo-5-nitrophenyl)-1-ethynyl-4-oxo-3-pyridinyl]-3-(6,6-dibromohexylsulfonyl)benzonitrile IUPAC Name: 4-[5-(3-bromo-5-nitrophenyl)-1-ethynyl-4-oxopyridin-3-yl]-3-(6,6-dibromohexylsulfonyl)benzonitrile Traditional Name: 4-[5-(3-bromo-5-nitro-phenyl)-1-ethynyl-4-keto-3-pyridyl]-3-(6,6-dibromohexylsulfonyl)benzonitrile Formula: C26H20Br3N3O5S MolecularWeight: 726.2311

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Descriptors Computed from Structure

Canonical SMILES:

C#CN1C=C(C(=O)C(=C1)C2=CC(=CC(=C2)Br)[N+](=O)[O-])C3=C(C=C(C=C3)C#N)S(=O)(=O)CCCCCC(Br)Br

Isomeric SMILES

C#CN1C=C(C(=O)C(=C1)C2=CC(=CC(=C2)Br)[N+](=O)[O-])C3=C(C=C(C=C3)C#N)S(=O)(=O)CCCCCC(Br)Br

InChI

InChI=1S/C26H20Br3N3O5S/c1-2-31-15-22(18-11-19(27)13-20(12-18)32(34)35)26(33)23(16-31)21-8-7-17(14-30)10-24(21)38(36,37)9-5-3-4-6-25(28)29/h1,7-8,10-13,15-16,25H,3-6,9H2