2-cyano-N,N-bis(ethylsulfanyl)-4,6-dinitro-benzenecarbothioamide

Systemtic Name: 2-cyano-N,N-bis(ethylsulfanyl)-4,6-dinitro-benzenecarbothioamide Openeye Name: 2-cyano-N,N-bis(ethylsulfanyl)-4,6-dinitro-benzenecarbothioamide CAS Name: 2-cyano-N,N-bis(ethylthio)-4,6-dinitrobenzenecarbothioamide IUPAC Name: 2-cyano-N,N-bis(ethylsulfanyl)-4,6-dinitrobenzenecarbothioamide Traditional Name: 2-cyano-N,N-bis(ethylthio)-4,6-dinitro-thiobenzamide Formula: C12H12N4O4S3 MolecularWeight: 372.44308

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Descriptors Computed from Structure

Canonical SMILES:

CCSN(C(=S)C1=C(C=C(C=C1C#N)[N+](=O)[O-])[N+](=O)[O-])SCC

Isomeric SMILES

CCSN(C(=S)C1=C(C=C(C=C1C#N)[N+](=O)[O-])[N+](=O)[O-])SCC

InChI

InChI=1S/C12H12N4O4S3/c1-3-22-16(23-4-2)12(21)11-8(7-13)5-9(14(17)18)6-10(11)15(19)20/h5-6H,3-4H2,1-2H3