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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CC2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=NN1CC2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C17H17N7S/c1-13-7-8-18-23(13)12-16-20-21-17(25)24(16)15-9-19-22(11-15)10-14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3,(H,21,25)