1-(4-methyl-2-oxidanyl-phenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methyl-2-oxidanyl-phenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(2-hydroxy-4-methyl-phenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-(2-hydroxy-4-methylphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-(2-hydroxy-4-methylphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(2-hydroxy-4-methyl-phenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethanone Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H13N3O4S/c1-9-2-4-11(14(20)6-9)15(21)8-24-16-17-12-5-3-10(19(22)23)7-13(12)18-16/h2-7,20H,8H2,1H3,(H,17,18)