2-nitro-4-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]phenol

Systemtic Name: 2-nitro-4-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]phenol Openeye Name: 2-nitro-4-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]phenol CAS Name: 4-[mercapto(1H-1,2,4-triazol-5-yl)methyl]-2-nitrophenol IUPAC Name: 2-nitro-4-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]phenol Traditional Name: 4-[mercapto(1H-1,2,4-triazol-5-yl)methyl]-2-nitro-phenol Formula: C9H8N4O3S MolecularWeight: 252.24982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C2=NC=NN2)S)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1C(C2=NC=NN2)S)[N+](=O)[O-])O

InChI

InChI=1S/C9H8N4O3S/c14-7-2-1-5(3-6(7)13(15)16)8(17)9-10-4-11-12-9/h1-4,8,14,17H,(H,10,11,12)