(E)-1-(4-bromophenyl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (E)-1-(4-bromophenyl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (E)-1-(4-bromophenyl)-3-(2-furylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (E)-1-(4-bromophenyl)-3-(2-furanylmethylamino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (E)-1-(4-bromophenyl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (E)-1-(4-bromophenyl)-3-(2-furfurylamino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C19H16BrN2O2S+ MolecularWeight: 416.31154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=C(NCC2=CC=CO2)S)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=[N+](C=C1)/C(=C(\NCC2=CC=CO2)/S)/C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H15BrN2O2S/c20-15-8-6-14(7-9-15)18(23)17(22-10-2-1-3-11-22)19(25)21-13-16-5-4-12-24-16/h1-12H,13H2,(H-,21,23,25)/p+1