3-[[5,6-bis(chloranyl)-1H-benzimidazol-2-yl]sulfanylmethyl]-6-bromanyl-chromen-2-one

Systemtic Name: 3-[[5,6-bis(chloranyl)-1H-benzimidazol-2-yl]sulfanylmethyl]-6-bromanyl-chromen-2-one Openeye Name: 6-bromo-3-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-bromo-3-[[(5,6-dichloro-1H-benzimidazol-2-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-bromo-3-[[(5,6-dichloro-1H-benzimidazol-2-yl)thio]methyl]coumarin Formula: C17H9BrCl2N2O2S MolecularWeight: 456.14056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C=C(C(=O)O2)CSC3=NC4=CC(=C(C=C4N3)Cl)Cl

Isomeric SMILES

C1=CC2=C(C=C1Br)C=C(C(=O)O2)CSC3=NC4=CC(=C(C=C4N3)Cl)Cl

InChI

InChI=1S/C17H9BrCl2N2O2S/c18-10-1-2-15-8(4-10)3-9(16(23)24-15)7-25-17-21-13-5-11(19)12(20)6-14(13)22-17/h1-6H,7H2,(H,21,22)