2,6-dinitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenol

Systemtic Name: 2,6-dinitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenol Openeye Name: 2,6-dinitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenol CAS Name: 2,6-dinitro-4-(1H-1,2,4-triazol-5-ylthio)phenol IUPAC Name: 2,6-dinitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenol Traditional Name: 2,6-dinitro-4-(1H-1,2,4-triazol-5-ylthio)phenol Formula: C8H5N5O5S MolecularWeight: 283.2208

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])SC2=NC=NN2

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])SC2=NC=NN2

InChI

InChI=1S/C8H5N5O5S/c14-7-5(12(15)16)1-4(2-6(7)13(17)18)19-8-9-3-10-11-8/h1-3,14H,(H,9,10,11)