2-azanyl-4-(5-bromanylthiophen-2-yl)-6-ethyl-5-methyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-bromanylthiophen-2-yl)-6-ethyl-5-methyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-thienyl)-6-ethyl-5-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-thiophenyl)-6-ethyl-5-methyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(5-bromothiophen-2-yl)-6-ethyl-5-methylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-thienyl)-6-ethyl-5-methyl-pyridin-1-ium-3-carbonitrile Formula: C13H13BrN3S+ MolecularWeight: 323.23142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(S2)Br)C

Isomeric SMILES

CCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(S2)Br)C

InChI

InChI=1S/C13H12BrN3S/c1-3-9-7(2)12(8(6-15)13(16)17-9)10-4-5-11(14)18-10/h4-5H,3H2,1-2H3,(H2,16,17)/p+1