3-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]sulfanyl-4-methyl-1,2,4-triazole

Systemtic Name: 3-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]sulfanyl-4-methyl-1,2,4-triazole Openeye Name: 3-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]sulfanyl-4-methyl-1,2,4-triazole CAS Name: 3-[[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]thio]-4-methyl-1,2,4-triazole IUPAC Name: 3-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]sulfanyl-4-methyl-1,2,4-triazole Traditional Name: 3-[[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]thio]-4-methyl-1,2,4-triazole Formula: C14H14N6O2S MolecularWeight: 330.36496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)SC3=NN=CN3C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)SC3=NN=CN3C)[N+](=O)[O-])C

InChI

InChI=1S/C14H14N6O2S/c1-9-6-10(2)19(17-9)13-7-11(4-5-12(13)20(21)22)23-14-16-15-8-18(14)3/h4-8H,1-3H3