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

Systemtic Name: 6-chloranyl-7-methyl-4-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-4-[(1-isobutylbenzimidazol-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[1-(2-methylpropyl)-2-benzimidazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-4-[[(1-isobutylbenzimidazol-2-yl)thio]methyl]-7-methyl-coumarin Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4N3CC(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4N3CC(C)C)Cl

InChI

InChI=1S/C22H21ClN2O2S/c1-13(2)11-25-19-7-5-4-6-18(19)24-22(25)28-12-15-9-21(26)27-20-8-14(3)17(23)10-16(15)20/h4-10,13H,11-12H2,1-3H3