2-azanyl-6-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]pyridin-1-ium-3,5-dicarbonitrile Formula: C16H12BrN4O2S+ MolecularWeight: 404.26108

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C16H11BrN4O2S/c17-12-5-14-13(22-1-2-23-14)4-11(12)8-24-16-10(7-19)3-9(6-18)15(20)21-16/h3-5H,1-2,8H2,(H2,20,21)/p+1