5-tert-butyl-3-(2-chloranyl-4-nitro-phenyl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-tert-butyl-3-(2-chloranyl-4-nitro-phenyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-tert-butyl-3-(2-chloro-4-nitro-phenyl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-tert-butyl-3-[(2-chloro-4-nitrophenyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-tert-butyl-3-(2-chloro-4-nitrophenyl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-tert-butyl-3-[(2-chloro-4-nitro-phenyl)thio]-1H-1,2,4-triazole Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN4O2S/c1-12(2,3)10-14-11(16-15-10)20-9-5-4-7(17(18)19)6-8(9)13/h4-6H,1-3H3,(H,14,15,16)