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S-[(E)-N'-(pentan-3-ylideneamino)carbamimidoyl] 5-nitrofuran-2-carbothioate

S-[(E)-N'-(pentan-3-ylideneamino)carbamimidoyl] 5-nitrofuran-2-carbothioate

Systemtic Name:S-[(E)-N'-(pentan-3-ylideneamino)carbamimidoyl] 5-nitrofuran-2-carbothioate
Openeye Name:S-[(E)-N'-(1-ethylpropylideneamino)carbamimidoyl] 5-nitrofuran-2-carbothioate
CAS Name:5-nitro-2-furancarbothioic acid S-[(E)-amino-(pentan-3-ylidenehydrazinylidene)methyl] ester
IUPAC Name:S-[(E)-N'-(pentan-3-ylideneamino)carbamimidoyl] 5-nitrofuran-2-carbothioate
Traditional Name:5-nitrofuran-2-carbothioic acid S-[(E)-N'-(1-ethylpropylideneamino)amidino] ester
Formula: C11H14N4O4S
MolecularWeight: 298.31826
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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NN=C(N)SC(=O)C1=CC=C(O1)[N+](=O)[O-])CC


Isomeric SMILES

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


InChI

InChI=1S/C11H14N4O4S/c1-3-7(4-2)13-14-11(12)20-10(16)8-5-6-9(19-8)15(17)18/h5-6H,3-4H2,1-2H3,(H2,12,14)


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