1-ethyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-ethyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-ethyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 1-ethyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-5-piperidinosulfonyl-benzimidazole Formula: C23H26N6O2S2 MolecularWeight: 482.62154

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NNC(=N4)C5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NNC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H26N6O2S2/c1-2-29-20-12-11-18(33(30,31)28-13-7-4-8-14-28)15-19(20)24-21(29)16-32-23-25-22(26-27-23)17-9-5-3-6-10-17/h3,5-6,9-12,15H,2,4,7-8,13-14,16H2,1H3,(H,25,26,27)