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

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-3-nitro-benzamide Openeye Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-3-nitro-benzamide CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-3-nitrobenzamide IUPAC Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-3-nitrobenzamide Traditional Name: N-[3-[(4-fluorophenyl)thio]propyl]-3-nitro-benzamide Formula: C16H15FN2O3S MolecularWeight: 334.365303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN2O3S/c17-13-5-7-15(8-6-13)23-10-2-9-18-16(20)12-3-1-4-14(11-12)19(21)22/h1,3-8,11H,2,9-10H2,(H,18,20)