2-(2-fluorophenyl)sulfanyl-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

Systemtic Name: 2-(2-fluorophenyl)sulfanyl-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide Openeye Name: 2-(2-fluorophenyl)sulfanyl-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide CAS Name: 2-[(2-fluorophenyl)thio]-5-nitro-N-[3-(1-pyrazolylmethyl)phenyl]benzamide IUPAC Name: 2-(2-fluorophenyl)sulfanyl-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide Traditional Name: 2-[(2-fluorophenyl)thio]-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide Formula: C23H17FN4O3S MolecularWeight: 448.469483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)F)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)F)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)CN4C=CC=N4

InChI

InChI=1S/C23H17FN4O3S/c24-20-7-1-2-8-22(20)32-21-10-9-18(28(30)31)14-19(21)23(29)26-17-6-3-5-16(13-17)15-27-12-4-11-25-27/h1-14H,15H2,(H,26,29)