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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 2-[(3-nitrophenyl)methylthio]-1H-benzimidazole IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[(3-nitrobenzyl)thio]-1H-benzimidazole Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O2S/c18-17(19)11-5-3-4-10(8-11)9-20-14-15-12-6-1-2-7-13(12)16-14/h1-8H,9H2,(H,15,16)