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

Systemtic Name: 4-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)O)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)O)C)C

InChI

InChI=1S/C20H24N2O3S/c1-5-6-9-22-14(4)13(3)21-20(22)26-11-15-10-18(24)25-19-12(2)17(23)8-7-16(15)19/h7-8,10,23H,5-6,9,11H2,1-4H3