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

Systemtic Name: 4-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-7-hydroxy-coumarin Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC2=CC(=O)OC3=C2C=CC(=C3)O)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC2=CC(=O)OC3=C2C=CC(=C3)O)C4CCCC4)C

InChI

InChI=1S/C20H22N2O3S/c1-12-13(2)22(15-5-3-4-6-15)20(21-12)26-11-14-9-19(24)25-18-10-16(23)7-8-17(14)18/h7-10,15,23H,3-6,11H2,1-2H3