(Z)-2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-1-phenyl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-1-phenyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-1-phenyl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-2-(2-isoquinolin-2-iumyl)-3-(methylthio)-1-phenyl-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-1-phenyl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-2-isoquinolin-2-ium-2-yl-3-(methylthio)-1-phenyl-3-thioxo-prop-1-en-1-olate Formula: C19H15NOS2 MolecularWeight: 337.4585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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