3-[(4-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(4-methoxyphenyl)-4-o-cumenyl-1,2,4-triazole Formula: C25H24BrN3OS MolecularWeight: 494.44656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H24BrN3OS/c1-17(2)22-6-4-5-7-23(22)29-24(19-10-14-21(30-3)15-11-19)27-28-25(29)31-16-18-8-12-20(26)13-9-18/h4-15,17H,16H2,1-3H3