4-methyl-5-[5-methyl-1-(4-nitrophenyl)pyrazol-3-yl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-methyl-5-[5-methyl-1-(4-nitrophenyl)pyrazol-3-yl]-1,2,4-triazole-3-thiolate Openeye Name: 4-methyl-5-[5-methyl-1-(4-nitrophenyl)pyrazol-3-yl]-1,2,4-triazole-3-thiolate CAS Name: 4-methyl-5-[5-methyl-1-(4-nitrophenyl)-3-pyrazolyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-methyl-5-[5-methyl-1-(4-nitrophenyl)pyrazol-3-yl]-1,2,4-triazole-3-thiolate Traditional Name: 4-methyl-5-[5-methyl-1-(4-nitrophenyl)pyrazol-3-yl]-1,2,4-triazole-3-thiolate Formula: C13H11N6O2S- MolecularWeight: 315.33044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=NN=C(N3C)[S-]

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=NN=C(N3C)[S-]

InChI

InChI=1S/C13H12N6O2S/c1-8-7-11(12-14-15-13(22)17(12)2)16-18(8)9-3-5-10(6-4-9)19(20)21/h3-7H,1-2H3,(H,15,22)/p-1