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

Systemtic Name: 2-azanyl-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-phenylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-phenylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C21H14BrN4OS+ MolecularWeight: 450.33106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrN4OS/c22-15-8-6-13(7-9-15)18(27)12-28-21-17(11-24)19(14-4-2-1-3-5-14)16(10-23)20(25)26-21/h1-9H,12H2,(H2,25,26)/p+1