(E)-3-(furan-2-ylmethylamino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-(furan-2-ylmethylamino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(2-furylmethylamino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(2-furanylmethylamino)-1-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(furan-2-ylmethylamino)-1-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(2-furfurylamino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C(C(=S)NCC2=CC=CO2)[N+]3=CC=CC=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C(/C(=S)NCC2=CC=CO2)\[N+]3=CC=CC=C3)/[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S/c1-14-7-8-15(12-17(14)23(25)26)19(24)18(22-9-3-2-4-10-22)20(28)21-13-16-6-5-11-27-16/h2-12H,13H2,1H3,(H-,21,24,28)