2-azanyl-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-(2-furyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(2-furanyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-(2-furyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C19H12BrN4O2S+ MolecularWeight: 440.29318

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N

Isomeric SMILES

C1=COC(=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N

InChI

InChI=1S/C19H11BrN4O2S/c20-12-5-3-11(4-6-12)15(25)10-27-19-14(9-22)17(16-2-1-7-26-16)13(8-21)18(23)24-19/h1-7H,10H2,(H2,23,24)/p+1