N-tert-butyl-2,6-dinitro-4-(phenylmethylsulfanyl)benzamide

Systemtic Name: N-tert-butyl-2,6-dinitro-4-(phenylmethylsulfanyl)benzamide Openeye Name: 4-benzylsulfanyl-N-tert-butyl-2,6-dinitro-benzamide CAS Name: N-tert-butyl-2,6-dinitro-4-(phenylmethylthio)benzamide IUPAC Name: 4-benzylsulfanyl-N-tert-butyl-2,6-dinitrobenzamide Traditional Name: 4-(benzylthio)-N-tert-butyl-2,6-dinitro-benzamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C=C(C=C1[N+](=O)[O-])SCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C=C(C=C1[N+](=O)[O-])SCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-18(2,3)19-17(22)16-14(20(23)24)9-13(10-15(16)21(25)26)27-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,19,22)