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

Systemtic Name: 3-[(4-ethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(4-ethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(4-ethylanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-1-(3-nitrophenyl)-2-propen-1-one IUPAC Name: 3-(4-ethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(4-ethylanilino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)prop-2-en-1-one Formula: C23H22N3O3S+ MolecularWeight: 420.50408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=C(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+]3=CC=CC(=C3)C)S

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=C(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+]3=CC=CC(=C3)C)S

InChI

InChI=1S/C23H21N3O3S/c1-3-17-9-11-19(12-10-17)24-23(30)21(25-13-5-6-16(2)15-25)22(27)18-7-4-8-20(14-18)26(28)29/h4-15H,3H2,1-2H3,(H-,24,27,30)/p+1