4-(4-fluorophenyl)sulfanyl-N-(2-methylpropyl)-3-nitro-benzamide

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-N-(2-methylpropyl)-3-nitro-benzamide Openeye Name: 4-(4-fluorophenyl)sulfanyl-N-isobutyl-3-nitro-benzamide CAS Name: 4-[(4-fluorophenyl)thio]-N-(2-methylpropyl)-3-nitrobenzamide IUPAC Name: 4-(4-fluorophenyl)sulfanyl-N-(2-methylpropyl)-3-nitrobenzamide Traditional Name: 4-[(4-fluorophenyl)thio]-N-isobutyl-3-nitro-benzamide Formula: C17H17FN2O3S MolecularWeight: 348.391883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17FN2O3S/c1-11(2)10-19-17(21)12-3-8-16(15(9-12)20(22)23)24-14-6-4-13(18)5-7-14/h3-9,11H,10H2,1-2H3,(H,19,21)