2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 2-[(2-methyl-5-nitrophenyl)methylthio]-1H-benzimidazole IUPAC Name: 2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[(2-methyl-5-nitro-benzyl)thio]-1H-benzimidazole Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=CC=CC=C3N2

InChI

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