4-ethyl-3-[(2-nitrophenyl)methylsulfanyl]-5-(2-phenoxyphenyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[(2-nitrophenyl)methylsulfanyl]-5-(2-phenoxyphenyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-[(2-nitrophenyl)methylsulfanyl]-5-(2-phenoxyphenyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(2-nitrophenyl)methylthio]-5-(2-phenoxyphenyl)-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(2-nitrophenyl)methylsulfanyl]-5-(2-phenoxyphenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-[(2-nitrobenzyl)thio]-5-(2-phenoxyphenyl)-1,2,4-triazole Formula: C23H20N4O3S MolecularWeight: 432.4949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C23H20N4O3S/c1-2-26-22(19-13-7-9-15-21(19)30-18-11-4-3-5-12-18)24-25-23(26)31-16-17-10-6-8-14-20(17)27(28)29/h3-15H,2,16H2,1H3