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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NNC(=S)N2C3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=NNC(=S)N2C3=CC=CC=C3)C)Br

InChI

InChI=1S/C14H14BrN5S/c1-9-13(15)10(2)19(18-9)8-12-16-17-14(21)20(12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,17,21)