1-(3,4-dimethylphenyl)-3-[(2,6-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(2,6-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2,6-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(=CC=C1)C)NC(=C(C(=O)C2=CC(=C(C=C2)C)C)[N+]3=CC=CC=C3)S

Isomeric SMILES

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

InChI

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