propyl N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamimidothioate hydroiodide

Systemtic Name: propyl N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamimidothioate hydroiodide Openeye Name: 3-[(E)-(5-nitro-2-furyl)methyleneamino]-2-propyl-isothiourea hydroiodide CAS Name: N'-[(E)-(5-nitro-2-furanyl)methylideneamino]carbamimidothioic acid propyl ester hydroiodide IUPAC Name: propyl N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamimidothioate hydroiodide Traditional Name: 3-[(E)-(5-nitro-2-furyl)methyleneamino]-2-propyl-isothiourea hydroiodide Formula: C9H13IN4O3S MolecularWeight: 384.19399

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=NN=CC1=CC=C(O1)[N+](=O)[O-])N.I

Isomeric SMILES

CCCS/C(=N\N=C\C1=CC=C(O1)[N+](=O)[O-])/N.I

InChI

InChI=1S/C9H12N4O3S.HI/c1-2-5-17-9(10)12-11-6-7-3-4-8(16-7)13(14)15;/h3-4,6H,2,5H2,1H3,(H2,10,12);1H/b11-6+;