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

Systemtic Name: S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate Openeye Name: S-[(E)-N'-[(E)-1-methylpropylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate CAS Name: 5-nitro-2-furancarbothioic acid S-[(E)-amino-[(E)-butan-2-ylidenehydrazinylidene]methyl] ester IUPAC Name: S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate Traditional Name: 5-nitrofuran-2-carbothioic acid S-[(E)-N'-[(E)-1-methylpropylideneamino]amidino] ester Formula: C10H12N4O4S MolecularWeight: 284.29168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N4O4S/c1-3-6(2)12-13-10(11)19-9(15)7-4-5-8(18-7)14(16)17/h4-5H,3H2,1-2H3,(H2,11,13)/b12-6+