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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCCSC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCCSC2=CC=C(C=C2)F

InChI

InChI=1S/C17H17FN2O3S/c1-12-15(4-2-5-16(12)20(22)23)17(21)19-10-3-11-24-14-8-6-13(18)7-9-14/h2,4-9H,3,10-11H2,1H3,(H,19,21)