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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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