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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(2,6-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(2,6-dimethylanilino)-2-pyridin-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-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(2,6-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-(2,6-dimethylanilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C20H18ClN2OS2+ MolecularWeight: 401.95272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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