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

Systemtic Name: 4-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]methyl]-7-methyl-coumarin Formula: C25H19ClN2O2S MolecularWeight: 446.94856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

InChI

InChI=1S/C25H19ClN2O2S/c1-16-7-9-20-18(12-24(29)30-23(20)11-16)15-31-25-27-21-13-19(26)8-10-22(21)28(25)14-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3