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

Systemtic Name: 3-[(3,4-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(3,4-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-(3,4-dimethylanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(3,4-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-(3,4-dimethylanilino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C21H21N2OS2+ MolecularWeight: 381.53424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC(=C(C=C2)C)C)S)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC(=C(C=C2)C)C)S)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H20N2OS2/c1-14-6-4-10-23(13-14)19(20(24)18-7-5-11-26-18)21(25)22-17-9-8-15(2)16(3)12-17/h4-13H,1-3H3,(H-,22,24,25)/p+1