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

Systemtic Name: 3-[(4-chlorophenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(4-chloroanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(4-chloroanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 3-(4-chloroanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(4-chloroanilino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)prop-2-en-1-one Formula: C21H17ClN3O3S+ MolecularWeight: 426.89598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=C(C=C2)Cl)S)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=C(C=C2)Cl)S)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O3S/c1-14-3-2-12-24(13-14)19(21(29)23-17-8-6-16(22)7-9-17)20(26)15-4-10-18(11-5-15)25(27)28/h2-13H,1H3,(H-,23,26,29)/p+1