(3aS,4S,6aR)-4-[5-(2-nitroimidazol-1-yl)pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one

Systemtic Name: (3aS,4S,6aR)-4-[5-(2-nitroimidazol-1-yl)pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one Openeye Name: (3aS,4S,6aR)-4-[5-(2-nitroimidazol-1-yl)pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one CAS Name: (3aS,4S,6aR)-4-[5-(2-nitro-1-imidazolyl)pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one IUPAC Name: (3aS,4S,6aR)-4-[5-(2-nitroimidazol-1-yl)pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one Traditional Name: (3aS,4S,6aR)-4-[5-(2-nitroimidazol-1-yl)pentyl]-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-2-one Formula: C13H19N5O3S MolecularWeight: 325.38666

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCCN3C=CN=C3[N+](=O)[O-])NC(=O)N2

Isomeric SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCCN3C=CN=C3[N+](=O)[O-])NC(=O)N2

InChI

InChI=1S/C13H19N5O3S/c19-12-15-9-8-22-10(11(9)16-12)4-2-1-3-6-17-7-5-14-13(17)18(20)21/h5,7,9-11H,1-4,6,8H2,(H2,15,16,19)/t9-,10-,11-/m0/s1