6-nitro-2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole

Systemtic Name: 6-nitro-2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole Openeye Name: 6-nitro-2-[2-(1-piperidyl)ethylsulfanyl]-1H-benzimidazole CAS Name: 6-nitro-2-[2-(1-piperidinyl)ethylthio]-1H-benzimidazole IUPAC Name: 6-nitro-2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole Traditional Name: 6-nitro-2-(2-piperidinoethylthio)-1H-benzimidazole Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O2S/c19-18(20)11-4-5-12-13(10-11)16-14(15-12)21-9-8-17-6-2-1-3-7-17/h4-5,10H,1-3,6-9H2,(H,15,16)