(E)-1-(4-methoxyphenyl)-3-[(2-nitrophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(4-methoxyphenyl)-3-[(2-nitrophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(4-methoxyphenyl)-3-(2-nitroanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-methoxyphenyl)-3-(2-nitroanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(4-methoxyphenyl)-3-(2-nitroanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(4-methoxyphenyl)-3-(2-nitroanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C(C(=S)NC2=CC=CC=C2[N+](=O)[O-])[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C(=C(/C(=S)NC2=CC=CC=C2[N+](=O)[O-])\[N+]3=CC=CC=C3)/[O-]

InChI

InChI=1S/C21H17N3O4S/c1-28-16-11-9-15(10-12-16)20(25)19(23-13-5-2-6-14-23)21(29)22-17-7-3-4-8-18(17)24(26)27/h2-14H,1H3,(H-,22,25,29)