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

Systemtic Name: 2-cyano-N,N-bis(methylsulfanyl)-4,6-dinitro-benzenecarbothioamide Openeye Name: 2-cyano-N,N-bis(methylsulfanyl)-4,6-dinitro-benzenecarbothioamide CAS Name: 2-cyano-N,N-bis(methylthio)-4,6-dinitrobenzenecarbothioamide IUPAC Name: 2-cyano-N,N-bis(methylsulfanyl)-4,6-dinitrobenzenecarbothioamide Traditional Name: 2-cyano-N,N-bis(methylthio)-4,6-dinitro-thiobenzamide Formula: C10H8N4O4S3 MolecularWeight: 344.38992

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Descriptors Computed from Structure

Canonical SMILES:

CSN(C(=S)C1=C(C=C(C=C1C#N)[N+](=O)[O-])[N+](=O)[O-])SC

Isomeric SMILES

CSN(C(=S)C1=C(C=C(C=C1C#N)[N+](=O)[O-])[N+](=O)[O-])SC

InChI

InChI=1S/C10H8N4O4S3/c1-20-14(21-2)10(19)9-6(5-11)3-7(12(15)16)4-8(9)13(17)18/h3-4H,1-2H3