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

Systemtic Name: 3-(4-bromanyl-1H-pyrazol-5-yl)-4-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-bromo-1H-pyrazol-5-yl)-4-[1-(p-tolylmethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-bromo-1H-pyrazol-5-yl)-4-[1-[(4-methylphenyl)methyl]-4-pyrazolyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-bromo-1H-pyrazol-5-yl)-4-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-bromo-1H-pyrazol-5-yl)-4-[1-(4-methylbenzyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione Formula: C16H14BrN7S MolecularWeight: 416.29826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)C4=C(C=NN4)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)C4=C(C=NN4)Br

InChI

InChI=1S/C16H14BrN7S/c1-10-2-4-11(5-3-10)8-23-9-12(6-19-23)24-15(21-22-16(24)25)14-13(17)7-18-20-14/h2-7,9H,8H2,1H3,(H,18,20)(H,22,25)