3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: 3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-anilino-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-anilino-3-mercapto-2-(1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-anilino-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-anilino-3-mercapto-2-pyridin-1-ium-1-yl-1-(2-thienyl)prop-2-en-1-one Formula: C18H15N2OS2+ MolecularWeight: 339.4545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2OS2/c21-17(15-10-7-13-23-15)16(20-11-5-2-6-12-20)18(22)19-14-8-3-1-4-9-14/h1-13H,(H-,19,21,22)/p+1