2-[(2-methylphenyl)methylsulfanyl]-6-nitro-1H-benzimidazole

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-6-nitro-1H-benzimidazole Openeye Name: 6-nitro-2-(o-tolylmethylsulfanyl)-1H-benzimidazole CAS Name: 2-[(2-methylphenyl)methylthio]-6-nitro-1H-benzimidazole IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-6-nitro-1H-benzimidazole Traditional Name: 2-[(2-methylbenzyl)thio]-6-nitro-1H-benzimidazole Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O2S/c1-10-4-2-3-5-11(10)9-21-15-16-13-7-6-12(18(19)20)8-14(13)17-15/h2-8H,9H2,1H3,(H,16,17)