3-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C18H22F3N7O2S2 MolecularWeight: 489.53819

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=C(N4N)C(F)(F)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=C(N4N)C(F)(F)F

InChI

InChI=1S/C18H22F3N7O2S2/c1-2-27-14-7-6-12(32(29,30)26-8-4-3-5-9-26)10-13(14)23-15(27)11-31-17-25-24-16(28(17)22)18(19,20)21/h6-7,10H,2-5,8-9,11,22H2,1H3