3-[(4-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: 3-[(4-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(4-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-mercapto-3-(4-methoxyanilino)-2-(1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(4-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-mercapto-3-(p-anisidino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)prop-2-en-1-one Formula: C19H17N2O2S2+ MolecularWeight: 369.48048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)S

Isomeric SMILES

COC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C19H16N2O2S2/c1-23-15-9-7-14(8-10-15)20-19(24)17(21-11-3-2-4-12-21)18(22)16-6-5-13-25-16/h2-13H,1H3,(H-,20,22,24)/p+1