(E)-3-(furan-2-ylmethylamino)-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-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-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(2-furylmethylamino)-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(2-furanylmethylamino)-1-(4-methyl-3-nitrophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(furan-2-ylmethylamino)-1-(4-methyl-3-nitrophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(2-furfurylamino)-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC(=C(C=C2)C)[N+](=O)[O-])[O-])C(=S)NCC3=CC=CO3

Isomeric SMILES

CC1=C[N+](=CC=C1)/C(=C(\C2=CC(=C(C=C2)C)[N+](=O)[O-])/[O-])/C(=S)NCC3=CC=CO3

InChI

InChI=1S/C21H19N3O4S/c1-14-5-3-9-23(13-14)19(21(29)22-12-17-6-4-10-28-17)20(25)16-8-7-15(2)18(11-16)24(26)27/h3-11,13H,12H2,1-2H3,(H-,22,25,29)