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

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-5-piperidinosulfonyl-benzimidazole Formula: C23H30N6O2S2 MolecularWeight: 486.6533

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=C(N4C5CC5)C6CC6

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=C(N4C5CC5)C6CC6

InChI

InChI=1S/C23H30N6O2S2/c1-2-28-20-11-10-18(33(30,31)27-12-4-3-5-13-27)14-19(20)24-21(28)15-32-23-26-25-22(16-6-7-16)29(23)17-8-9-17/h10-11,14,16-17H,2-9,12-13,15H2,1H3