5-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-[(2,4-dinitrophenyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-[(2,4-dinitrophenyl)thio]-1H-1,2,4-triazole Formula: C8H5N5O4S MolecularWeight: 267.2214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5N5O4S/c14-12(15)5-1-2-7(6(3-5)13(16)17)18-8-9-4-10-11-8/h1-4H,(H,9,10,11)