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

Systemtic Name: 3-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Formula: C22H22N6O2S MolecularWeight: 434.51408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C3=NNC(=S)N3CCC4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C3=NNC(=S)N3CCC4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O2S/c1-15-20(28(29)30)16(2)27(25-15)14-18-9-6-10-19(13-18)21-23-24-22(31)26(21)12-11-17-7-4-3-5-8-17/h3-10,13H,11-12,14H2,1-2H3,(H,24,31)