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

Systemtic Name: 3-(hydroxymethyl)-4-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(hydroxymethyl)-4-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(hydroxymethyl)-4-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(hydroxymethyl)-4-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-methylol-4-(4-nitrobenzyl)-1H-1,2,4-triazole-5-thione Formula: C10H10N4O3S MolecularWeight: 266.2764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=NNC2=S)CO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C(=NNC2=S)CO)[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O3S/c15-6-9-11-12-10(18)13(9)5-7-1-3-8(4-2-7)14(16)17/h1-4,15H,5-6H2,(H,12,18)