5-nitro-2-phenylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 5-nitro-2-phenylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide Openeye Name: 5-nitro-2-phenylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide CAS Name: 5-nitro-2-(phenylthio)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide IUPAC Name: 5-nitro-2-phenylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide Traditional Name: 5-nitro-2-(phenylthio)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide Formula: C22H14F3N5O3S MolecularWeight: 485.43847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4

InChI

InChI=1S/C22H14F3N5O3S/c23-22(24,25)14-6-8-19(29-13-26-12-27-29)18(10-14)28-21(31)17-11-15(30(32)33)7-9-20(17)34-16-4-2-1-3-5-16/h1-13H,(H,28,31)