6-azanyl-4-(4-bromophenyl)-2-(cyanomethylsulfanyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-azanyl-4-(4-bromophenyl)-2-(cyanomethylsulfanyl)pyridin-1-ium-3-carbonitrile Openeye Name: 6-amino-4-(4-bromophenyl)-2-(cyanomethylsulfanyl)pyridin-1-ium-3-carbonitrile CAS Name: 6-amino-4-(4-bromophenyl)-2-(cyanomethylthio)-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-amino-4-(4-bromophenyl)-2-(cyanomethylsulfanyl)pyridin-1-ium-3-carbonitrile Traditional Name: 6-amino-4-(4-bromophenyl)-2-(cyanomethylthio)pyridin-1-ium-3-carbonitrile Formula: C14H10BrN4S+ MolecularWeight: 346.225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrN4S/c15-10-3-1-9(2-4-10)11-7-13(18)19-14(12(11)8-17)20-6-5-16/h1-4,7H,6H2,(H2,18,19)/p+1