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

Systemtic Name: 3-(2,5-dimethylpyrazol-3-yl)-4-[1-(phenylmethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1-benzylpyrazol-4-yl)-3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(2,5-dimethyl-3-pyrazolyl)-4-[1-(phenylmethyl)-4-pyrazolyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1-benzylpyrazol-4-yl)-3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1-benzylpyrazol-4-yl)-3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione Formula: C17H17N7S MolecularWeight: 351.42878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C(=C1)C2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C17H17N7S/c1-12-8-15(22(2)21-12)16-19-20-17(25)24(16)14-9-18-23(11-14)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,20,25)