3-(1-methylpyrazol-4-yl)-4-[1-(phenylmethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1-methylpyrazol-4-yl)-4-[1-(phenylmethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1-benzylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-methyl-4-pyrazolyl)-4-[1-(phenylmethyl)-4-pyrazolyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1-benzylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1-benzylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione Formula: C16H15N7S MolecularWeight: 337.4022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C16H15N7S/c1-21-10-13(7-17-21)15-19-20-16(24)23(15)14-8-18-22(11-14)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,20,24)