7-bromanyl-4-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[4,5-dimethyl-1-(2-oxolanylmethyl)-2-imidazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[4,5-dimethyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]methyl]coumarin Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br)CC4CCCO4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br)CC4CCCO4)C

InChI

InChI=1S/C20H21BrN2O3S/c1-12-13(2)23(10-16-4-3-7-25-16)20(22-12)27-11-14-8-19(24)26-18-9-15(21)5-6-17(14)18/h5-6,8-9,16H,3-4,7,10-11H2,1-2H3