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

Systemtic Name: 3-[(2-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(2-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-mercapto-3-(2-methylanilino)-2-(1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(2-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-mercapto-3-(o-toluidino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)prop-2-en-1-one Formula: C19H17N2OS2+ MolecularWeight: 353.48108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)S

Isomeric SMILES

CC1=CC=CC=C1NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C19H16N2OS2/c1-14-8-3-4-9-15(14)20-19(23)17(21-11-5-2-6-12-21)18(22)16-10-7-13-24-16/h2-13H,1H3,(H-,20,22,23)/p+1