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

Systemtic Name: 6-chloranyl-4-[[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[[4,5-dimethyl-1-(2-methylpropyl)-2-imidazolyl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-7-methyl-coumarin Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=C(N3CC(C)C)C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=C(N3CC(C)C)C)C)Cl

InChI

InChI=1S/C20H23ClN2O2S/c1-11(2)9-23-14(5)13(4)22-20(23)26-10-15-7-19(24)25-18-6-12(3)17(21)8-16(15)18/h6-8,11H,9-10H2,1-5H3