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

Systemtic Name: 2-(3-methylpyridin-1-ium-1-yl)-3-[(phenylmethyl)amino]-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(benzylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-3-[(phenylmethyl)amino]-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(benzylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-(benzylamino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C20H19N2OS2+ MolecularWeight: 367.50766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NCC2=CC=CC=C2)S)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NCC2=CC=CC=C2)S)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H18N2OS2/c1-15-7-5-11-22(14-15)18(19(23)17-10-6-12-25-17)20(24)21-13-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H-,21,23,24)/p+1