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

Systemtic Name: 3-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C16H21N7O3S2 MolecularWeight: 423.51304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NN=CN4N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NN=CN4N

InChI

InChI=1S/C16H21N7O3S2/c1-2-22-14-4-3-12(28(24,25)21-5-7-26-8-6-21)9-13(14)19-15(22)10-27-16-20-18-11-23(16)17/h3-4,9,11H,2,5-8,10,17H2,1H3