4-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C28H25ClN2O2S MolecularWeight: 489.0283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl)C(C)C

InChI

InChI=1S/C28H25ClN2O2S/c1-17(2)22-14-23-20(12-27(32)33-26(23)11-18(22)3)16-34-28-30-24-13-21(29)9-10-25(24)31(28)15-19-7-5-4-6-8-19/h4-14,17H,15-16H2,1-3H3