4-[3-azanyl-5-(dioxidanylmethyl)phenyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[3-azanyl-5-(dioxidanylmethyl)phenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[3-amino-5-(hydroperoxymethyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-[3-amino-5-(hydroperoxymethyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[3-amino-5-(hydroperoxymethyl)phenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[3-amino-5-(hydroperoxymethyl)phenyl]-1H-1,2,4-triazole-5-thione Formula: C9H10N4O2S MolecularWeight: 238.2663

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1N2C=NNC2=S)N)COO

Isomeric SMILES

C1=C(C=C(C=C1N2C=NNC2=S)N)COO

InChI

InChI=1S/C9H10N4O2S/c10-7-1-6(4-15-14)2-8(3-7)13-5-11-12-9(13)16/h1-3,5,14H,4,10H2,(H,12,16)