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

Systemtic Name: 6-chloranyl-4-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-7-methyl-coumarin Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=C(N3C4CCCC4)C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=C(N3C4CCCC4)C)C)Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-12-8-19-17(10-18(12)22)15(9-20(25)26-19)11-27-21-23-13(2)14(3)24(21)16-6-4-5-7-16/h8-10,16H,4-7,11H2,1-3H3