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

Systemtic Name: 5-ethyl-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-ethyl-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-ethyl-3-[(4-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-ethyl-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-ethyl-3-[(4-nitrobenzyl)thio]-1H-1,2,4-triazole Formula: C11H12N4O2S MolecularWeight: 264.30358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O2S/c1-2-10-12-11(14-13-10)18-7-8-3-5-9(6-4-8)15(16)17/h3-6H,2,7H2,1H3,(H,12,13,14)