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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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