3-(5-bromanylthiophen-2-yl)-1-(1-oxidanidylpyridin-1-ium-3-yl)prop-2-en-1-one

Systemtic Name: 3-(5-bromanylthiophen-2-yl)-1-(1-oxidanidylpyridin-1-ium-3-yl)prop-2-en-1-one Openeye Name: 3-(5-bromo-2-thienyl)-1-(1-oxidopyridin-1-ium-3-yl)prop-2-en-1-one CAS Name: 3-(5-bromo-2-thiophenyl)-1-(1-oxido-3-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(5-bromothiophen-2-yl)-1-(1-oxidopyridin-1-ium-3-yl)prop-2-en-1-one Traditional Name: 3-(5-bromo-2-thienyl)-1-(1-oxidopyridin-1-ium-3-yl)prop-2-en-1-one Formula: C12H8BrNO2S MolecularWeight: 310.16642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])C(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])C(=O)C=CC2=CC=C(S2)Br

InChI

InChI=1S/C12H8BrNO2S/c13-12-6-4-10(17-12)3-5-11(15)9-2-1-7-14(16)8-9/h1-8H