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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(3,5-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C24H25N2OS+ MolecularWeight: 389.5331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2OS/c1-16-12-17(2)14-21(13-16)25-24(28)22(26-10-6-5-7-11-26)23(27)20-9-8-18(3)19(4)15-20/h5-15H,1-4H3,(H-,25,27,28)/p+1