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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(3,4-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(3,4-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-(3,4-dimethylanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-(3,4-dimethylanilino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C21H20ClN2OS2+ MolecularWeight: 415.9793

Click to see the large picture

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=C(S3)Cl

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC(=C(C=C2)C)C)S)C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H19ClN2OS2/c1-13-5-4-10-24(12-13)19(20(25)17-8-9-18(22)27-17)21(26)23-16-7-6-14(2)15(3)11-16/h4-12H,1-3H3,(H-,23,25,26)/p+1