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

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-chloro-2-methyl-anilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3-chloro-2-methylanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 3-(3-chloro-2-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3-chloro-2-methyl-anilino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)prop-2-en-1-one Formula: C22H19ClN3O3S+ MolecularWeight: 440.92256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O3S/c1-14-5-4-12-25(13-14)20(21(27)16-8-10-17(11-9-16)26(28)29)22(30)24-19-7-3-6-18(23)15(19)2/h3-13H,1-2H3,(H-,24,27,30)/p+1