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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(2-ethoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(2-ethoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-(2-ethoxyanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(2-ethoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-mercapto-3-(o-phenetidino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C20H18ClN2O2S2+ MolecularWeight: 417.95212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3)S

Isomeric SMILES

CCOC1=CC=CC=C1NC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C20H17ClN2O2S2/c1-2-25-15-9-5-4-8-14(15)22-20(26)18(23-12-6-3-7-13-23)19(24)16-10-11-17(21)27-16/h3-13H,2H2,1H3,(H-,22,24,26)/p+1