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

Systemtic Name: 3-(furan-2-ylmethylamino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2-furylmethylamino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2-furanylmethylamino)-3-mercapto-1-(4-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(furan-2-ylmethylamino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2-furfurylamino)-3-mercapto-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C19H16N3O4S+ MolecularWeight: 382.41304

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O4S/c23-18(14-6-8-15(9-7-14)22(24)25)17(21-10-2-1-3-11-21)19(27)20-13-16-5-4-12-26-16/h1-12H,13H2,(H-,20,23,27)/p+1