5-tert-butyl-3-(2-nitrothiophen-3-yl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-tert-butyl-3-(2-nitrothiophen-3-yl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-tert-butyl-3-[(2-nitro-3-thienyl)sulfanyl]-1H-1,2,4-triazole CAS Name: 5-tert-butyl-3-[(2-nitro-3-thiophenyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-tert-butyl-3-(2-nitrothiophen-3-yl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-tert-butyl-3-[(2-nitro-3-thienyl)thio]-1H-1,2,4-triazole Formula: C10H12N4O2S2 MolecularWeight: 284.35788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SC2=C(SC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SC2=C(SC=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H12N4O2S2/c1-10(2,3)8-11-9(13-12-8)18-6-4-5-17-7(6)14(15)16/h4-5H,1-3H3,(H,11,12,13)