4-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]methyl]-7,8-dimethyl-coumarin Formula: C26H21ClN2O2S MolecularWeight: 460.97514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl)C

InChI

InChI=1S/C26H21ClN2O2S/c1-16-8-10-21-19(12-24(30)31-25(21)17(16)2)15-32-26-28-22-13-20(27)9-11-23(22)29(26)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3