2-(4-ethylpyridin-1-ium-1-yl)-1-(4-methyl-3-nitro-phenyl)-3-[(3-methylphenyl)amino]-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-(4-ethylpyridin-1-ium-1-yl)-1-(4-methyl-3-nitro-phenyl)-3-[(3-methylphenyl)amino]-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-ethylpyridin-1-ium-1-yl)-3-(3-methylanilino)-1-(4-methyl-3-nitro-phenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-ethyl-1-pyridin-1-iumyl)-3-mercapto-3-(3-methylanilino)-1-(4-methyl-3-nitrophenyl)-2-propen-1-one IUPAC Name: 2-(4-ethylpyridin-1-ium-1-yl)-3-(3-methylanilino)-1-(4-methyl-3-nitrophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-ethylpyridin-1-ium-1-yl)-3-mercapto-1-(4-methyl-3-nitro-phenyl)-3-(m-toluidino)prop-2-en-1-one Formula: C24H24N3O3S+ MolecularWeight: 434.53066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)C(=C(NC2=CC=CC(=C2)C)S)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=[N+](C=C1)C(=C(NC2=CC=CC(=C2)C)S)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O3S/c1-4-18-10-12-26(13-11-18)22(24(31)25-20-7-5-6-16(2)14-20)23(28)19-9-8-17(3)21(15-19)27(29)30/h5-15H,4H2,1-3H3,(H-,25,28,31)/p+1