6-[1-(3-azidopropyl)piperidin-4-yl]-5-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazole

Systemtic Name: 6-[1-(3-azidopropyl)piperidin-4-yl]-5-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazole Openeye Name: 6-[1-(3-azidopropyl)-4-piperidyl]-5-chloro-2-(1-ethylpropylsulfanyl)-1H-benzimidazole CAS Name: 6-[1-(3-azidopropyl)-4-piperidinyl]-5-chloro-2-(pentan-3-ylthio)-1H-benzimidazole IUPAC Name: 6-[1-(3-azidopropyl)piperidin-4-yl]-5-chloro-2-pentan-3-ylsulfanyl-1H-benzimidazole Traditional Name: 6-[1-(3-azidopropyl)-4-piperidyl]-5-chloro-2-(1-ethylpropylthio)-1H-benzimidazole Formula: C20H29ClN6S MolecularWeight: 421.00246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=C(N1)C=C(C(=C2)Cl)C3CCN(CC3)CCCN=[N+]=[N-]

Isomeric SMILES

CCC(CC)SC1=NC2=C(N1)C=C(C(=C2)Cl)C3CCN(CC3)CCCN=[N+]=[N-]

InChI

InChI=1S/C20H29ClN6S/c1-3-15(4-2)28-20-24-18-12-16(17(21)13-19(18)25-20)14-6-10-27(11-7-14)9-5-8-23-26-22/h12-15H,3-11H2,1-2H3,(H,24,25)