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

Systemtic Name: 4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O2S/c1-14-5-8-20(16(3)11-14)25-10-9-24-23(25)28-13-18-12-21(26)27-22-17(4)15(2)6-7-19(18)22/h5-12H,13H2,1-4H3