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

Systemtic Name: 3-[4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Formula: C22H22BrN5S MolecularWeight: 468.41258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C3=NNC(=S)N3CCC4=CC=CC=C4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C3=NNC(=S)N3CCC4=CC=CC=C4)C)Br

InChI

InChI=1S/C22H22BrN5S/c1-15-20(23)16(2)28(26-15)14-18-8-10-19(11-9-18)21-24-25-22(29)27(21)13-12-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,25,29)