[2,6-dinitro-4-(phenylmethylsulfanyl)phenyl]-morpholin-4-yl-methanone

Systemtic Name: [2,6-dinitro-4-(phenylmethylsulfanyl)phenyl]-morpholin-4-yl-methanone Openeye Name: (4-benzylsulfanyl-2,6-dinitro-phenyl)-morpholino-methanone CAS Name: [2,6-dinitro-4-(phenylmethylthio)phenyl]-(4-morpholinyl)methanone IUPAC Name: (4-benzylsulfanyl-2,6-dinitrophenyl)-morpholin-4-ylmethanone Traditional Name: [4-(benzylthio)-2,6-dinitro-phenyl]-morpholino-methanone Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=C(C=C(C=C2[N+](=O)[O-])SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)C2=C(C=C(C=C2[N+](=O)[O-])SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S/c22-18(19-6-8-27-9-7-19)17-15(20(23)24)10-14(11-16(17)21(25)26)28-12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2