N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methyl-propyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methyl-propyl]-3-nitro-benzamide Openeye Name: N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methyl-propyl]-3-nitro-benzamide CAS Name: N-[2-[(4-fluorophenyl)methylthio]-2-methylpropyl]-3-nitrobenzamide IUPAC Name: N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-3-nitrobenzamide Traditional Name: N-[2-[(4-fluorobenzyl)thio]-2-methyl-propyl]-3-nitro-benzamide Formula: C18H19FN2O3S MolecularWeight: 362.418463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])SCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])SCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H19FN2O3S/c1-18(2,25-11-13-6-8-15(19)9-7-13)12-20-17(22)14-4-3-5-16(10-14)21(23)24/h3-10H,11-12H2,1-2H3,(H,20,22)