7-methyl-4-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-4-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(1-isobutylbenzimidazol-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 7-methyl-4-[[[1-(2-methylpropyl)-2-benzimidazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(1-isobutylbenzimidazol-2-yl)thio]methyl]-7-methyl-coumarin Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4N3CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4N3CC(C)C

InChI

InChI=1S/C22H22N2O2S/c1-14(2)12-24-19-7-5-4-6-18(19)23-22(24)27-13-16-11-21(25)26-20-10-15(3)8-9-17(16)20/h4-11,14H,12-13H2,1-3H3