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

Systemtic Name: propyl N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamimidothioate Openeye Name: 3-[(E)-(5-nitro-2-furyl)methyleneamino]-2-propyl-isothiourea CAS Name: N'-[(E)-(5-nitro-2-furanyl)methylideneamino]carbamimidothioic acid propyl ester IUPAC Name: propyl N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamimidothioate Traditional Name: 3-[(E)-(5-nitro-2-furyl)methyleneamino]-2-propyl-isothiourea Formula: C9H12N4O3S MolecularWeight: 256.28158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N4O3S/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)/b11-6+