1-(5-chloranylthiophen-2-yl)-3-[(2-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(2-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-(2-fluoroanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-(2-fluoroanilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C18H13ClFN2OS2+ MolecularWeight: 391.890023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H12ClFN2OS2/c19-15-9-8-14(25-15)17(23)16(22-10-4-1-5-11-22)18(24)21-13-7-3-2-6-12(13)20/h1-11H,(H-,21,23,24)/p+1