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

Systemtic Name: 2-azanyl-4-(4-bromophenyl)-6-ethylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-bromophenyl)-6-ethylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-bromophenyl)-6-(ethylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-bromophenyl)-6-ethylsulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-bromophenyl)-6-(ethylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C15H12BrN4S+ MolecularWeight: 360.25158

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CCSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C15H11BrN4S/c1-2-21-15-12(8-18)13(11(7-17)14(19)20-15)9-3-5-10(16)6-4-9/h3-6H,2H2,1H3,(H2,19,20)/p+1