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

Systemtic Name: 1-(4-methoxyphenyl)-3-[(2-nitrophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-methoxyphenyl)-3-(2-nitroanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-1-(4-methoxyphenyl)-3-(2-nitroanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-methoxyphenyl)-3-(2-nitroanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-mercapto-1-(4-methoxyphenyl)-3-(2-nitroanilino)-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)C(=O)C(=C(NC2=CC=CC=C2[N+](=O)[O-])S)[N+]3=CC=CC=C3

Isomeric SMILES

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

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)/p+1