4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C22H20N2O3S MolecularWeight: 392.4708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC3=CC(=O)OC4=C3C=CC(=C4C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

InChI=1S/C22H20N2O3S/c1-13-4-5-14(2)18(10-13)24-9-8-23-22(24)28-12-16-11-20(26)27-21-15(3)19(25)7-6-17(16)21/h4-11,25H,12H2,1-3H3