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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NNC2=S

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NNC2=S

InChI

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