4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-6,7-bis(oxidanyl)chromen-2-one

Systemtic Name: 4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-6,7-bis(oxidanyl)chromen-2-one Openeye Name: 6,7-dihydroxy-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dihydroxy-4-[[(1-methyl-2-benzimidazolyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dihydroxy-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dihydroxy-4-[[(1-methylbenzimidazol-2-yl)thio]methyl]coumarin Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=CC(=C(C=C34)O)O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=CC(=C(C=C34)O)O

InChI

InChI=1S/C18H14N2O4S/c1-20-13-5-3-2-4-12(13)19-18(20)25-9-10-6-17(23)24-16-8-15(22)14(21)7-11(10)16/h2-8,21-22H,9H2,1H3