2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[(2-ethylphenyl)amino]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[(2-ethylphenyl)amino]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(2-ethylanilino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(2-ethylanilino)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(2-ethylanilino)-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(2-ethylanilino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C22H23N3OS2 MolecularWeight: 409.56752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3OS2/c1-4-16-8-5-6-9-18(16)23-22(27)20(21(26)19-10-7-15-28-19)25-13-11-17(12-14-25)24(2)3/h5-15H,4H2,1-3H3,(H-,23,26,27)