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

Systemtic Name: 3-[(2-ethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(2-ethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-(2-ethylanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(2-ethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-(2-ethylanilino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C21H21N2OS2+ MolecularWeight: 381.53424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC(=C3)C)S

Isomeric SMILES

CCC1=CC=CC=C1NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC(=C3)C)S

InChI

InChI=1S/C21H20N2OS2/c1-3-16-9-4-5-10-17(16)22-21(25)19(20(24)18-11-7-13-26-18)23-12-6-8-15(2)14-23/h4-14H,3H2,1-2H3,(H-,22,24,25)/p+1