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

Systemtic Name: 3-[(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[[5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C17H23N7O3S2 MolecularWeight: 437.53962

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NNC(=N4)N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NNC(=N4)N

InChI

InChI=1S/C17H23N7O3S2/c1-2-5-24-14-4-3-12(29(25,26)23-6-8-27-9-7-23)10-13(14)19-15(24)11-28-17-20-16(18)21-22-17/h3-4,10H,2,5-9,11H2,1H3,(H3,18,20,21,22)