N-methyl-2,6-dinitro-4-(phenylmethylsulfanyl)benzamide

Systemtic Name: N-methyl-2,6-dinitro-4-(phenylmethylsulfanyl)benzamide Openeye Name: 4-benzylsulfanyl-N-methyl-2,6-dinitro-benzamide CAS Name: N-methyl-2,6-dinitro-4-(phenylmethylthio)benzamide IUPAC Name: 4-benzylsulfanyl-N-methyl-2,6-dinitrobenzamide Traditional Name: 4-(benzylthio)-N-methyl-2,6-dinitro-benzamide Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O5S/c1-16-15(19)14-12(17(20)21)7-11(8-13(14)18(22)23)24-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,19)