1-[(Z)-1-[(2S)-2,4,4-trimethyl-1-oxidanidyl-3-oxidanyl-5-thiophen-2-yl-imidazol-1-ium-2-yl]ethylideneamino]thiourea

Systemtic Name: 1-[(Z)-1-[(2S)-2,4,4-trimethyl-1-oxidanidyl-3-oxidanyl-5-thiophen-2-yl-imidazol-1-ium-2-yl]ethylideneamino]thiourea Openeye Name: [(Z)-1-[(2S)-3-hydroxy-2,4,4-trimethyl-1-oxido-5-(2-thienyl)imidazol-1-ium-2-yl]ethylideneamino]thiourea CAS Name: [(Z)-1-[(2S)-3-hydroxy-2,4,4-trimethyl-1-oxido-5-thiophen-2-yl-2-imidazol-1-iumyl]ethylideneamino]thiourea IUPAC Name: [(Z)-1-[(2S)-3-hydroxy-2,4,4-trimethyl-1-oxido-5-thiophen-2-ylimidazol-1-ium-2-yl]ethylideneamino]thiourea Traditional Name: [(Z)-1-[(2S)-3-hydroxy-2,4,4-trimethyl-1-oxido-5-(2-thienyl)-3-imidazolin-1-ium-2-yl]ethylideneamino]thiourea Formula: C13H19N5O2S2 MolecularWeight: 341.45226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)C1(N(C(C(=[N+]1[O-])C2=CC=CS2)(C)C)O)C

Isomeric SMILES

C/C(=N/NC(=S)N)/[C@]1(N(C(C(=[N+]1[O-])C2=CC=CS2)(C)C)O)C

InChI

InChI=1S/C13H19N5O2S2/c1-8(15-16-11(14)21)13(4)17(19)10(9-6-5-7-22-9)12(2,3)18(13)20/h5-7,20H,1-4H3,(H3,14,16,21)/b15-8-/t13-/m1/s1