2-bromanyl-N-[1-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 2-bromanyl-N-[1-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 2-bromo-N-[1-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 2-bromo-N-[1-[4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 2-bromo-N-[1-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 2-bromo-N-[1-[4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C20H20BrN5O3S MolecularWeight: 490.3735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(C)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(C)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H20BrN5O3S/c1-3-25-18(13(2)22-19(27)16-6-4-5-7-17(16)21)23-24-20(25)30-12-14-8-10-15(11-9-14)26(28)29/h4-11,13H,3,12H2,1-2H3,(H,22,27)