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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)C4=CN(N=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)C4=CN(N=C4)C

InChI

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