ethyl N-[(2-nitro-4-thiocyanato-phenyl)carbamothioyl]carbamate

Systemtic Name: ethyl N-[(2-nitro-4-thiocyanato-phenyl)carbamothioyl]carbamate Openeye Name: ethyl N-[(2-nitro-4-thiocyanato-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-nitro-4-thiocyanatoanilino)-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(2-nitro-4-thiocyanatophenyl)carbamothioyl]carbamate Traditional Name: N-[(2-nitro-4-thiocyanato-phenyl)thiocarbamoyl]carbamic acid ethyl ester Formula: C11H10N4O4S2 MolecularWeight: 326.3515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=C(C=C(C=C1)SC#N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NC(=S)NC1=C(C=C(C=C1)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O4S2/c1-2-19-11(16)14-10(20)13-8-4-3-7(21-6-12)5-9(8)15(17)18/h3-5H,2H2,1H3,(H2,13,14,16,20)