(E)-1-(2-bromophenyl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(2-bromophenyl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(2-bromophenyl)-3-(2-furylmethylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(2-bromophenyl)-3-(2-furanylmethylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(2-bromophenyl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(2-bromophenyl)-3-(2-furfurylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C19H15BrN2O2S MolecularWeight: 415.3036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=C(C2=CC=CC=C2Br)[O-])C(=S)NCC3=CC=CO3

Isomeric SMILES

C1=CC=[N+](C=C1)/C(=C(\C2=CC=CC=C2Br)/[O-])/C(=S)NCC3=CC=CO3

InChI

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