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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(3-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-mercapto-3-(3-methoxyanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-(m-anisidino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C19H16ClN2O2S2+ MolecularWeight: 403.92554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3)S

Isomeric SMILES

COC1=CC=CC(=C1)NC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C19H15ClN2O2S2/c1-24-14-7-5-6-13(12-14)21-19(25)17(22-10-3-2-4-11-22)18(23)15-8-9-16(20)26-15/h2-12H,1H3,(H-,21,23,25)/p+1