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

Systemtic Name: 2-(3-methylpyridin-1-ium-1-yl)-3-[(phenylmethyl)amino]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-(benzylamino)-2-(3-methylpyridin-1-ium-1-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 2-(3-methyl-1-pyridin-1-iumyl)-3-[(phenylmethyl)amino]-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-(benzylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 3-(benzylamino)-2-(3-methylpyridin-1-ium-1-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C20H18N2OS2 MolecularWeight: 366.49972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC=CS2)[O-])C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(C2=CC=CS2)[O-])C(=S)NCC3=CC=CC=C3

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)