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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(4-ethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(4-ethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-(4-ethylanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(4-ethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-(4-ethylanilino)-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:

CCC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC(=C3)C)S

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC(=C3)C)S

InChI

InChI=1S/C21H19ClN2OS2/c1-3-15-6-8-16(9-7-15)23-21(26)19(24-12-4-5-14(2)13-24)20(25)17-10-11-18(22)27-17/h4-13H,3H2,1-2H3,(H-,23,25,26)/p+1