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

Systemtic Name: 2-azanyl-4-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-bromophenyl)-6-[(4-chlorophenyl)methylthio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-bromophenyl)-6-[(4-chlorobenzyl)thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C20H13BrClN4S+ MolecularWeight: 456.76602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)Br)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)Br)C#N)Cl

InChI

InChI=1S/C20H12BrClN4S/c21-14-5-3-13(4-6-14)18-16(9-23)19(25)26-20(17(18)10-24)27-11-12-1-7-15(22)8-2-12/h1-8H,11H2,(H2,25,26)/p+1