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

Systemtic Name: 3-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methylsulfanyl]-5-(2-furyl)-1,2,4-triazol-4-amine CAS Name: 3-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methylthio]-5-(2-furanyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methylthio]-5-(2-furyl)-1,2,4-triazol-4-yl]amine Formula: C21H25N7O3S2 MolecularWeight: 487.5983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=C(N4N)C5=CC=CO5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=C(N4N)C5=CC=CO5

InChI

InChI=1S/C21H25N7O3S2/c1-2-27-17-9-8-15(33(29,30)26-10-4-3-5-11-26)13-16(17)23-19(27)14-32-21-25-24-20(28(21)22)18-7-6-12-31-18/h6-9,12-13H,2-5,10-11,14,22H2,1H3