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

Systemtic Name: 3-[(4-bromanyl-3-methyl-pyrazol-1-yl)methyl]-4-[1-(phenylmethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1-benzylpyrazol-4-yl)-3-[(4-bromo-3-methyl-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-bromo-3-methyl-1-pyrazolyl)methyl]-4-[1-(phenylmethyl)-4-pyrazolyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1-benzylpyrazol-4-yl)-3-[(4-bromo-3-methylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1-benzylpyrazol-4-yl)-3-[(4-bromo-3-methyl-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C17H16BrN7S MolecularWeight: 430.32484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CC2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C=C1Br)CC2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C17H16BrN7S/c1-12-15(18)10-24(22-12)11-16-20-21-17(26)25(16)14-7-19-23(9-14)8-13-5-3-2-4-6-13/h2-7,9-10H,8,11H2,1H3,(H,21,26)