3-[(4-bromophenyl)methylsulfanyl]-5-(3-methyl-1-benzofuran-2-yl)-4-(2-methylpropyl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-methyl-1-benzofuran-2-yl)-4-(2-methylpropyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-isobutyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(3-methyl-2-benzofuranyl)-4-(2-methylpropyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-methyl-1-benzofuran-2-yl)-4-(2-methylpropyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-isobutyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazole Formula: C22H22BrN3OS MolecularWeight: 456.39858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC(C)C)SCC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC(C)C)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3OS/c1-14(2)12-26-21(20-15(3)18-6-4-5-7-19(18)27-20)24-25-22(26)28-13-16-8-10-17(23)11-9-16/h4-11,14H,12-13H2,1-3H3