5-[(3,5-dinitrophenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(3,5-dinitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(3,5-dinitrophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(3,5-dinitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(3,5-dinitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(3,5-dinitrobenzyl)thio]-1H-1,2,4-triazole Formula: C9H7N5O4S MolecularWeight: 281.24798

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CSC2=NC=NN2

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CSC2=NC=NN2

InChI

InChI=1S/C9H7N5O4S/c15-13(16)7-1-6(2-8(3-7)14(17)18)4-19-9-10-5-11-12-9/h1-3,5H,4H2,(H,10,11,12)