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

Systemtic Name: 2,6-dinitro-N-phenyl-4-(phenylmethylsulfanyl)benzamide Openeye Name: 4-benzylsulfanyl-2,6-dinitro-N-phenyl-benzamide CAS Name: 2,6-dinitro-N-phenyl-4-(phenylmethylthio)benzamide IUPAC Name: 4-benzylsulfanyl-2,6-dinitro-N-phenylbenzamide Traditional Name: 4-(benzylthio)-2,6-dinitro-N-phenyl-benzamide Formula: C20H15N3O5S MolecularWeight: 409.4152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=C(C(=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=C(C(=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5S/c24-20(21-15-9-5-2-6-10-15)19-17(22(25)26)11-16(12-18(19)23(27)28)29-13-14-7-3-1-4-8-14/h1-12H,13H2,(H,21,24)