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

Systemtic Name: 3-[(4-ethoxyphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(4-ethoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(4-ethoxyanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 3-(4-ethoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-(p-phenetidino)prop-2-en-1-one Formula: C23H22N3O4S+ MolecularWeight: 436.50348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+]3=CC=CC(=C3)C)S

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+]3=CC=CC(=C3)C)S

InChI

InChI=1S/C23H21N3O4S/c1-3-30-20-12-8-18(9-13-20)24-23(31)21(25-14-4-5-16(2)15-25)22(27)17-6-10-19(11-7-17)26(28)29/h4-15H,3H2,1-2H3,(H-,24,27,31)/p+1