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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(3-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(3-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-mercapto-3-(3-methylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(3-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(m-toluidino)prop-2-en-1-one Formula: C20H18ClN2OS2+ MolecularWeight: 401.95272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC(=C3)C)S

Isomeric SMILES

CC1=CC(=CC=C1)NC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC(=C3)C)S

InChI

InChI=1S/C20H17ClN2OS2/c1-13-5-3-7-15(11-13)22-20(25)18(23-10-4-6-14(2)12-23)19(24)16-8-9-17(21)26-16/h3-12H,1-2H3,(H-,22,24,25)/p+1