2-(4-fluorophenyl)sulfanyl-4,6-dinitro-benzamide

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-4,6-dinitro-benzamide Openeye Name: 2-(4-fluorophenyl)sulfanyl-4,6-dinitro-benzamide CAS Name: 2-[(4-fluorophenyl)thio]-4,6-dinitrobenzamide IUPAC Name: 2-(4-fluorophenyl)sulfanyl-4,6-dinitrobenzamide Traditional Name: 2-[(4-fluorophenyl)thio]-4,6-dinitro-benzamide Formula: C13H8FN3O5S MolecularWeight: 337.283123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SC2=CC(=CC(=C2C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1F)SC2=CC(=CC(=C2C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8FN3O5S/c14-7-1-3-9(4-2-7)23-11-6-8(16(19)20)5-10(17(21)22)12(11)13(15)18/h1-6H,(H2,15,18)