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

Systemtic Name: butyl N'-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamimidothioate Openeye Name: 2-butyl-3-methyl-1-[(E)-(5-nitro-2-furyl)methyleneamino]isothiourea CAS Name: N'-methyl-N-[(E)-(5-nitro-2-furanyl)methylideneamino]carbamimidothioic acid butyl ester IUPAC Name: butyl N'-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamimidothioate Traditional Name: 2-butyl-3-methyl-1-[(E)-(5-nitro-2-furyl)methyleneamino]isothiourea Formula: C11H16N4O3S MolecularWeight: 284.33474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCSC(=NC)N/N=C/C1=CC=C(O1)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O3S/c1-3-4-7-19-11(12-2)14-13-8-9-5-6-10(18-9)15(16)17/h5-6,8H,3-4,7H2,1-2H3,(H,12,14)/b13-8+