2-(2-cyanoethylsulfanyl)-4,6-dinitro-benzamide

Systemtic Name: 2-(2-cyanoethylsulfanyl)-4,6-dinitro-benzamide Openeye Name: 2-(2-cyanoethylsulfanyl)-4,6-dinitro-benzamide CAS Name: 2-(2-cyanoethylthio)-4,6-dinitrobenzamide IUPAC Name: 2-(2-cyanoethylsulfanyl)-4,6-dinitrobenzamide Traditional Name: 2-(2-cyanoethylthio)-4,6-dinitro-benzamide Formula: C10H8N4O5S MolecularWeight: 296.25932

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)N)SCCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)N)SCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O5S/c11-2-1-3-20-8-5-6(13(16)17)4-7(14(18)19)9(8)10(12)15/h4-5H,1,3H2,(H2,12,15)