2-azanyl-4-(4-bromophenyl)-6-methylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-bromophenyl)-6-methylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-bromophenyl)-6-methylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-bromophenyl)-6-(methylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-bromophenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-bromophenyl)-6-(methylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C14H10BrN4S+ MolecularWeight: 346.225

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C14H9BrN4S/c1-20-14-11(7-17)12(10(6-16)13(18)19-14)8-2-4-9(15)5-3-8/h2-5H,1H3,(H2,18,19)/p+1