(E)-1-(2-chlorophenyl)-3-(furan-2-ylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (E)-1-(2-chlorophenyl)-3-(furan-2-ylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: (E)-1-(2-chlorophenyl)-3-(2-furylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: (E)-1-(2-chlorophenyl)-3-(2-furanylmethylamino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (E)-1-(2-chlorophenyl)-3-(furan-2-ylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: (E)-1-(2-chlorophenyl)-3-(2-furfurylamino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C20H18ClN2O2S+ MolecularWeight: 385.88712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NCC2=CC=CO2)S)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=C[N+](=CC=C1)/C(=C(\NCC2=CC=CO2)/S)/C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H17ClN2O2S/c1-14-6-4-10-23(13-14)18(19(24)16-8-2-3-9-17(16)21)20(26)22-12-15-7-5-11-25-15/h2-11,13H,12H2,1H3,(H-,22,24,26)/p+1