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

Systemtic Name: 3-[(2-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(2-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-mercapto-3-(2-methylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(2-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(o-toluidino)-1-(2-thienyl)prop-2-en-1-one Formula: C20H19N2OS2+ MolecularWeight: 367.50766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2C)S)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2C)S)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H18N2OS2/c1-14-7-5-11-22(13-14)18(19(23)17-10-6-12-25-17)20(24)21-16-9-4-3-8-15(16)2/h3-13H,1-2H3,(H-,21,23,24)/p+1