2-[2,4-dinitro-6-(phenylmethylsulfanyl)phenyl]-N-phenyl-ethanamide

Systemtic Name: 2-[2,4-dinitro-6-(phenylmethylsulfanyl)phenyl]-N-phenyl-ethanamide Openeye Name: 2-(2-benzylsulfanyl-4,6-dinitro-phenyl)-N-phenyl-acetamide CAS Name: 2-[2,4-dinitro-6-(phenylmethylthio)phenyl]-N-phenylacetamide IUPAC Name: 2-(2-benzylsulfanyl-4,6-dinitrophenyl)-N-phenylacetamide Traditional Name: 2-[2-(benzylthio)-4,6-dinitro-phenyl]-N-phenyl-acetamide Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=CC(=C2CC(=O)NC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=CC(=C2CC(=O)NC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S/c25-21(22-16-9-5-2-6-10-16)13-18-19(24(28)29)11-17(23(26)27)12-20(18)30-14-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,22,25)