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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NN2)[N+](=O)[O-]

InChI

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