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

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-5-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazole Formula: C21H19Br2N5S MolecularWeight: 533.28206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br)C)Br

InChI

InChI=1S/C21H19Br2N5S/c1-14-20(23)15(2)27(26-14)12-19-24-25-21(28(19)18-6-4-3-5-7-18)29-13-16-8-10-17(22)11-9-16/h3-11H,12-13H2,1-2H3