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

Systemtic Name: 4-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C22H26N2O2S MolecularWeight: 382.51904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC(=C(N3C4CCCC4)C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC(=C(N3C4CCCC4)C)C)C

InChI

InChI=1S/C22H26N2O2S/c1-13-9-19-17(11-21(25)26-20(19)10-14(13)2)12-27-22-23-15(3)16(4)24(22)18-7-5-6-8-18/h9-11,18H,5-8,12H2,1-4H3