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

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[(2-ethylphenyl)amino]-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(2-ethylanilino)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(2-ethylanilino)-3-mercapto-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(2-ethylanilino)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(2-ethylanilino)-3-mercapto-1-(2-thienyl)prop-2-en-1-one Formula: C22H24N3OS2+ MolecularWeight: 410.57546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1