2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-1-phenyl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-1-phenyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-1-phenyl-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(2-isoquinolin-2-iumyl)-3-mercapto-3-(methylthio)-1-phenyl-2-propen-1-one IUPAC Name: 2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-1-phenyl-3-sulfanylprop-2-en-1-one Traditional Name: 2-isoquinolin-2-ium-2-yl-3-mercapto-3-(methylthio)-1-phenyl-prop-2-en-1-one Formula: C19H16NOS2+ MolecularWeight: 338.46644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C(=O)C1=CC=CC=C1)[N+]2=CC3=CC=CC=C3C=C2)S

Isomeric SMILES

CSC(=C(C(=O)C1=CC=CC=C1)[N+]2=CC3=CC=CC=C3C=C2)S

InChI

InChI=1S/C19H15NOS2/c1-23-19(22)17(18(21)15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)13-20/h2-13H,1H3/p+1