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

Systemtic Name: 3-[(2,3-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(2,3-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-(2,3-dimethylanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(2,3-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-(2,3-dimethylanilino)-3-mercapto-2-pyridin-1-ium-1-yl-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(C(=CC=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)S)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)S)C

InChI

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