4-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-7-hydroxy-coumarin Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC2=CC(=O)OC3=C2C=CC(=C3)O)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC2=CC(=O)OC3=C2C=CC(=C3)O)C4CCCCC4)C

InChI

InChI=1S/C21H24N2O3S/c1-13-14(2)23(16-6-4-3-5-7-16)21(22-13)27-12-15-10-20(25)26-19-11-17(24)8-9-18(15)19/h8-11,16,24H,3-7,12H2,1-2H3