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

Systemtic Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 2-[[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-[[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-5-piperidinosulfonyl-benzimidazole Formula: C20H26N6O2S2 MolecularWeight: 446.58944

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=CN4C5CC5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=CN4C5CC5

InChI

InChI=1S/C20H26N6O2S2/c1-2-25-18-9-8-16(30(27,28)24-10-4-3-5-11-24)12-17(18)22-19(25)13-29-20-23-21-14-26(20)15-6-7-15/h8-9,12,14-15H,2-7,10-11,13H2,1H3