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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C[N+](=C1)C(=C(NC2=CC=CC=C2OC)S)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(C=C[N+](=C1)C(=C(NC2=CC=CC=C2OC)S)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C24H23N3O4S/c1-4-17-15-26(14-13-16(17)2)22(23(28)18-9-11-19(12-10-18)27(29)30)24(32)25-20-7-5-6-8-21(20)31-3/h5-15H,4H2,1-3H3,(H-,25,28,32)/p+1