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

Systemtic Name: (E)-3-[(4-methoxyphenyl)amino]-1-(4-nitrophenyl)-2-(4-propan-2-ylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: (E)-2-(4-isopropylpyridin-1-ium-1-yl)-3-(4-methoxyanilino)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: (E)-3-mercapto-3-(4-methoxyanilino)-1-(4-nitrophenyl)-2-(4-propan-2-yl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(4-methoxyanilino)-1-(4-nitrophenyl)-2-(4-propan-2-ylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: (E)-2-(4-isopropylpyridin-1-ium-1-yl)-3-mercapto-1-(4-nitrophenyl)-3-(p-anisidino)prop-2-en-1-one Formula: C24H24N3O4S+ MolecularWeight: 450.53006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=CC=[N+](C=C1)/C(=C(\NC2=CC=C(C=C2)OC)/S)/C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O4S/c1-16(2)17-12-14-26(15-13-17)22(23(28)18-4-8-20(9-5-18)27(29)30)24(32)25-19-6-10-21(31-3)11-7-19/h4-16H,1-3H3,(H-,25,28,32)/p+1