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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=C(C(=CC=C2)Cl)C)S)[N+]3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=C(C(=CC=C2)Cl)C)S)[N+]3=CC=CC=C3)[N+](=O)[O-]

InChI

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