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

Systemtic Name: 3-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C17H20F3N7O3S2 MolecularWeight: 491.51101

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NN=C(N4N)C(F)(F)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NN=C(N4N)C(F)(F)F

InChI

InChI=1S/C17H20F3N7O3S2/c1-2-26-13-4-3-11(32(28,29)25-5-7-30-8-6-25)9-12(13)22-14(26)10-31-16-24-23-15(27(16)21)17(18,19)20/h3-4,9H,2,5-8,10,21H2,1H3