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

Systemtic Name: 3-(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-(p-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-bromo-1,5-dimethyl-3-pyrazolyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-bromo-1,5-dimethylpyrazol-3-yl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-(p-tolyl)-1H-1,2,4-triazole-5-thione Formula: C14H14BrN5S MolecularWeight: 364.26346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)C3=NN(C(=C3Br)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)C3=NN(C(=C3Br)C)C

InChI

InChI=1S/C14H14BrN5S/c1-8-4-6-10(7-5-8)20-13(16-17-14(20)21)12-11(15)9(2)19(3)18-12/h4-7H,1-3H3,(H,17,21)