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

Systemtic Name: (E)-3-[(3-methoxyphenyl)amino]-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (E)-3-(3-methoxyanilino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (E)-3-mercapto-3-(3-methoxyanilino)-1-(4-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(3-methoxyanilino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (E)-3-(m-anisidino)-3-mercapto-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C21H18N3O4S+ MolecularWeight: 408.45032

Click to see the large picture

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=CC=C3)S

Isomeric SMILES

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

InChI

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