2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1-propyl-benzimidazole

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1-propyl-benzimidazole Openeye Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1-propyl-benzimidazole CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-1-propylbenzimidazole IUPAC Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1-propylbenzimidazole Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-1-propyl-benzimidazole Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O2S/c1-2-9-22-16-6-4-3-5-14(16)21-18(22)26-11-17-19-13-8-7-12(23(24)25)10-15(13)20-17/h3-8,10H,2,9,11H2,1H3,(H,19,20)