4-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)C)C

InChI

InChI=1S/C21H26N2O2S/c1-6-7-8-23-16(5)15(4)22-21(23)26-12-17-11-20(24)25-19-10-14(3)13(2)9-18(17)19/h9-11H,6-8,12H2,1-5H3