2-butylsulfanyl-N-(4-fluorophenyl)-4,6-dinitro-benzamide

Systemtic Name: 2-butylsulfanyl-N-(4-fluorophenyl)-4,6-dinitro-benzamide Openeye Name: 2-butylsulfanyl-N-(4-fluorophenyl)-4,6-dinitro-benzamide CAS Name: 2-(butylthio)-N-(4-fluorophenyl)-4,6-dinitrobenzamide IUPAC Name: 2-butylsulfanyl-N-(4-fluorophenyl)-4,6-dinitrobenzamide Traditional Name: 2-(butylthio)-N-(4-fluorophenyl)-4,6-dinitro-benzamide Formula: C17H16FN3O5S MolecularWeight: 393.389443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=CC(=C1C(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=CC(=CC(=C1C(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H16FN3O5S/c1-2-3-8-27-15-10-13(20(23)24)9-14(21(25)26)16(15)17(22)19-12-6-4-11(18)5-7-12/h4-7,9-10H,2-3,8H2,1H3,(H,19,22)