3-[(3-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazole Formula: C20H22BrN3S MolecularWeight: 416.37778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrN3S/c1-20(2,3)16-10-8-15(9-11-16)18-22-23-19(24(18)4)25-13-14-6-5-7-17(21)12-14/h5-12H,13H2,1-4H3