1-(5-chloranylthiophen-2-yl)-3-[(2,6-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(2,6-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(2,6-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-(2,6-dimethylanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(2,6-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-(2,6-dimethylanilino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C21H20ClN2OS2+ MolecularWeight: 415.9793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=C(C=CC=C2C)C)S)C(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=C(C=CC=C2C)C)S)C(=O)C3=CC=C(S3)Cl

InChI

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