3-[(2,5-dimethylphenyl)amino]-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(2,5-dimethylphenyl)amino]-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2,5-dimethylanilino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2,5-dimethylanilino)-3-mercapto-1-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2,5-dimethylanilino)-1-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2,5-dimethylanilino)-3-mercapto-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C23H22N3O3S+ MolecularWeight: 420.50408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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