(E)-3-[(3-methoxyphenyl)amino]-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (E)-3-[(3-methoxyphenyl)amino]-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (E)-3-(3-methoxyanilino)-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (E)-3-mercapto-3-(3-methoxyanilino)-1-(4-nitrophenyl)-2-(1-quinolin-1-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(3-methoxyanilino)-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (E)-3-(m-anisidino)-3-mercapto-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-prop-2-en-1-one Formula: C25H20N3O4S+ MolecularWeight: 458.509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=C(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+]3=CC=CC4=CC=CC=C43)S

Isomeric SMILES

COC1=CC=CC(=C1)N/C(=C(/C(=O)C2=CC=C(C=C2)[N+](=O)[O-])\[N+]3=CC=CC4=CC=CC=C43)/S

InChI

InChI=1S/C25H19N3O4S/c1-32-21-9-4-8-19(16-21)26-25(33)23(24(29)18-11-13-20(14-12-18)28(30)31)27-15-5-7-17-6-2-3-10-22(17)27/h2-16H,1H3,(H-,26,29,33)/p+1