4-(4-methoxyphenyl)-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-methoxyphenyl)-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-methoxyphenyl)-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-methoxyphenyl)-3-[(5-methyl-3-nitro-1-pyrazolyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-methoxyphenyl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-methoxyphenyl)-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C14H14N6O3S MolecularWeight: 346.36436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=NNC(=S)N2C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=NNC(=S)N2C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O3S/c1-9-7-12(20(21)22)17-18(9)8-13-15-16-14(24)19(13)10-3-5-11(23-2)6-4-10/h3-7H,8H2,1-2H3,(H,16,24)