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

Systemtic Name: 2-azanyl-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C21H14BrN4O2S+ MolecularWeight: 466.33046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N)O

InChI

InChI=1S/C21H13BrN4O2S/c22-14-5-1-12(2-6-14)18(28)11-29-21-17(10-24)19(16(9-23)20(25)26-21)13-3-7-15(27)8-4-13/h1-8,27H,11H2,(H2,25,26)/p+1