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methyl N-(2-cyano-4-nitro-phenyl)-N'-(phenylcarbonyl)carbamimidothioate

methyl N-(2-cyano-4-nitro-phenyl)-N'-(phenylcarbonyl)carbamimidothioate

Systemtic Name:methyl N-(2-cyano-4-nitro-phenyl)-N'-(phenylcarbonyl)carbamimidothioate
Openeye Name:N-[(2-cyano-4-nitro-anilino)-methylsulfanyl-methylene]benzamide
CAS Name:N'-benzoyl-N-(2-cyano-4-nitrophenyl)carbamimidothioic acid methyl ester
IUPAC Name:methyl N'-benzoyl-N-(2-cyano-4-nitrophenyl)carbamimidothioate
Traditional Name:N-[(2-cyano-4-nitro-anilino)-(methylthio)methylene]benzamide
Formula: C16H12N4O3S
MolecularWeight: 340.35648
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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC(=O)C1=CC=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N


Isomeric SMILES

CSC(=NC(=O)C1=CC=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N


InChI

InChI=1S/C16H12N4O3S/c1-24-16(19-15(21)11-5-3-2-4-6-11)18-14-8-7-13(20(22)23)9-12(14)10-17/h2-9H,1H3,(H,18,19,21)


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