6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 6-methyl-2-[(3-nitrophenyl)methylthio]-1H-benzimidazole IUPAC Name: 6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 6-methyl-2-[(3-nitrobenzyl)thio]-1H-benzimidazole Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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