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

Systemtic Name: (E)-3-[(phenylmethyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: (E)-3-(benzylamino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-[(phenylmethyl)amino]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: (E)-3-(benzylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: (E)-3-(benzylamino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C19H16N2OS2 MolecularWeight: 352.47314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)/C(=C(/C2=CC=CS2)\[O-])/[N+]3=CC=CC=C3

InChI

InChI=1S/C19H16N2OS2/c22-18(16-10-7-13-24-16)17(21-11-5-2-6-12-21)19(23)20-14-15-8-3-1-4-9-15/h1-13H,14H2,(H-,20,22,23)