4-ethyl-3-(3-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(3-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-ethyl-5-(3-nitrophenyl)-1,2,4-triazole CAS Name: 4-ethyl-3-(3-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-ethyl-5-(3-nitrophenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-ethyl-5-(3-nitrophenyl)-1,2,4-triazole Formula: C17H16N4O2S MolecularWeight: 340.39954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2S/c1-2-20-16(14-9-6-10-15(11-14)21(22)23)18-19-17(20)24-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3