4-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]methyl]coumarin Formula: C24H17N3O6S MolecularWeight: 475.47328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C24H17N3O6S/c1-32-21-5-3-2-4-20(21)26-19-9-6-15(27(30)31)11-18(19)25-24(26)34-13-14-10-23(29)33-22-12-16(28)7-8-17(14)22/h2-12,28H,13H2,1H3