4,6-bis(azanyl)-2-[(2-bromophenyl)methylsulfanyl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-bis(azanyl)-2-[(2-bromophenyl)methylsulfanyl]pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-diamino-2-[(2-bromophenyl)methylsulfanyl]pyridin-1-ium-3-carbonitrile CAS Name: 4,6-diamino-2-[(2-bromophenyl)methylthio]-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-diamino-2-[(2-bromophenyl)methylsulfanyl]pyridin-1-ium-3-carbonitrile Traditional Name: 4,6-diamino-2-[(2-bromobenzyl)thio]pyridin-1-ium-3-carbonitrile Formula: C13H12BrN4S+ MolecularWeight: 336.23018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=C(C(=CC(=[NH+]2)N)N)C#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=C(C(=CC(=[NH+]2)N)N)C#N)Br

InChI

InChI=1S/C13H11BrN4S/c14-10-4-2-1-3-8(10)7-19-13-9(6-15)11(16)5-12(17)18-13/h1-5H,7H2,(H4,16,17,18)/p+1