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

Systemtic Name: 4-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]methyl]-7-methoxy-coumarin Formula: C25H19ClN2O3S MolecularWeight: 462.94796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

InChI

InChI=1S/C25H19ClN2O3S/c1-30-19-8-9-20-17(11-24(29)31-23(20)13-19)15-32-25-27-21-12-18(26)7-10-22(21)28(25)14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3