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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-3-19(4-2)18(22)17-15(20(23)24)10-14(11-16(17)21(25)26)27-12-13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3