S-[(E)-N'-(1-cyclopropylethylideneamino)carbamimidoyl] 5-nitrofuran-2-carbothioate

Systemtic Name: S-[(E)-N'-(1-cyclopropylethylideneamino)carbamimidoyl] 5-nitrofuran-2-carbothioate Openeye Name: S-[(E)-N'-(1-cyclopropylethylideneamino)carbamimidoyl] 5-nitrofuran-2-carbothioate CAS Name: 5-nitro-2-furancarbothioic acid S-[(E)-amino-(1-cyclopropylethylidenehydrazinylidene)methyl] ester IUPAC Name: S-[(E)-N'-(1-cyclopropylethylideneamino)carbamimidoyl] 5-nitrofuran-2-carbothioate Traditional Name: 5-nitrofuran-2-carbothioic acid S-[(E)-N'-(1-cyclopropylethylideneamino)amidino] ester Formula: C11H12N4O4S MolecularWeight: 296.30238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(N)SC(=O)C1=CC=C(O1)[N+](=O)[O-])C2CC2

Isomeric SMILES

CC(=N/N=C(\N)/SC(=O)C1=CC=C(O1)[N+](=O)[O-])C2CC2

InChI

InChI=1S/C11H12N4O4S/c1-6(7-2-3-7)13-14-11(12)20-10(16)8-4-5-9(19-8)15(17)18/h4-5,7H,2-3H2,1H3,(H2,12,14)