3-(2,4-dinitrophenyl)sulfanyl-5-ethyl-1H-1,2,4-triazole

Systemtic Name: 3-(2,4-dinitrophenyl)sulfanyl-5-ethyl-1H-1,2,4-triazole Openeye Name: 3-(2,4-dinitrophenyl)sulfanyl-5-ethyl-1H-1,2,4-triazole CAS Name: 3-[(2,4-dinitrophenyl)thio]-5-ethyl-1H-1,2,4-triazole IUPAC Name: 3-(2,4-dinitrophenyl)sulfanyl-5-ethyl-1H-1,2,4-triazole Traditional Name: 3-[(2,4-dinitrophenyl)thio]-5-ethyl-1H-1,2,4-triazole Formula: C10H9N5O4S MolecularWeight: 295.27456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H9N5O4S/c1-2-9-11-10(13-12-9)20-8-4-3-6(14(16)17)5-7(8)15(18)19/h3-5H,2H2,1H3,(H,11,12,13)