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

Systemtic Name: 5-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(3-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(3-nitrobenzyl)thio]-1H-1,2,4-triazole Formula: C9H8N4O2S MolecularWeight: 236.25042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC=NN2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC=NN2

InChI

InChI=1S/C9H8N4O2S/c14-13(15)8-3-1-2-7(4-8)5-16-9-10-6-11-12-9/h1-4,6H,5H2,(H,10,11,12)