ethyl N-(3-azanyl-1-methyl-4-nitro-pyrrol-2-yl)carbothioylcarbamate

Systemtic Name: ethyl N-(3-azanyl-1-methyl-4-nitro-pyrrol-2-yl)carbothioylcarbamate Openeye Name: ethyl N-(3-amino-1-methyl-4-nitro-pyrrole-2-carbothioyl)carbamate CAS Name: N-[(3-amino-1-methyl-4-nitro-2-pyrrolyl)-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-(3-amino-1-methyl-4-nitropyrrole-2-carbothioyl)carbamate Traditional Name: N-(3-amino-1-methyl-4-nitro-pyrrole-2-carbothioyl)carbamic acid ethyl ester Formula: C9H12N4O4S MolecularWeight: 272.28098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)C1=C(C(=CN1C)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)NC(=S)C1=C(C(=CN1C)[N+](=O)[O-])N

InChI

InChI=1S/C9H12N4O4S/c1-3-17-9(14)11-8(18)7-6(10)5(13(15)16)4-12(7)2/h4H,3,10H2,1-2H3,(H,11,14,18)