8-methoxy-3-[3-(3-methylsulfanylphenyl)-2-sulfanylidene-1H-imidazol-5-yl]chromen-2-one

Systemtic Name: 8-methoxy-3-[3-(3-methylsulfanylphenyl)-2-sulfanylidene-1H-imidazol-5-yl]chromen-2-one Openeye Name: 8-methoxy-3-[3-(3-methylsulfanylphenyl)-2-thioxo-1H-imidazol-5-yl]chromen-2-one CAS Name: 8-methoxy-3-[3-[3-(methylthio)phenyl]-2-sulfanylidene-1H-imidazol-5-yl]-1-benzopyran-2-one IUPAC Name: 8-methoxy-3-[3-(3-methylsulfanylphenyl)-2-sulfanylidene-1H-imidazol-5-yl]chromen-2-one Traditional Name: 8-methoxy-3-[1-[3-(methylthio)phenyl]-2-thioxo-4-imidazolin-4-yl]coumarin Formula: C20H16N2O3S2 MolecularWeight: 396.48264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C3=CN(C(=S)N3)C4=CC(=CC=C4)SC

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C3=CN(C(=S)N3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C20H16N2O3S2/c1-24-17-8-3-5-12-9-15(19(23)25-18(12)17)16-11-22(20(26)21-16)13-6-4-7-14(10-13)27-2/h3-11H,1-2H3,(H,21,26)