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

Systemtic Name: 3-(4-bromanyl-1H-pyrazol-5-yl)-4-[1-(phenylmethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1-benzylpyrazol-4-yl)-3-(4-bromo-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-bromo-1H-pyrazol-5-yl)-4-[1-(phenylmethyl)-4-pyrazolyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1-benzylpyrazol-4-yl)-3-(4-bromo-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1-benzylpyrazol-4-yl)-3-(4-bromo-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione Formula: C15H12BrN7S MolecularWeight: 402.27168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrN7S/c16-12-7-17-19-13(12)14-20-21-15(24)23(14)11-6-18-22(9-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,19)(H,21,24)