N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(2-nitrophenyl)methanimine

Systemtic Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(2-nitrophenyl)methanimine Openeye Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-isopropyl-1,2,4-triazol-4-yl]-1-(2-nitrophenyl)methanimine CAS Name: N-[3-[(4-bromophenyl)methylthio]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(2-nitrophenyl)methanimine IUPAC Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(2-nitrophenyl)methanimine Traditional Name: (E)-[3-[(4-bromobenzyl)thio]-5-isopropyl-1,2,4-triazol-4-yl]-(2-nitrobenzylidene)amine Formula: C19H18BrN5O2S MolecularWeight: 460.34752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N=CC2=CC=CC=C2[N+](=O)[O-])SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C1=NN=C(N1/N=C/C2=CC=CC=C2[N+](=O)[O-])SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN5O2S/c1-13(2)18-22-23-19(28-12-14-7-9-16(20)10-8-14)24(18)21-11-15-5-3-4-6-17(15)25(26)27/h3-11,13H,12H2,1-2H3/b21-11+