2-azanyl-6-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]pyridin-1-ium-3,5-dicarbonitrile Formula: C15H10BrN4O2S+ MolecularWeight: 390.2345

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N)Br

InChI

InChI=1S/C15H9BrN4O2S/c16-11-3-13-12(21-7-22-13)2-10(11)6-23-15-9(5-18)1-8(4-17)14(19)20-15/h1-3H,6-7H2,(H2,19,20)/p+1