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

Systemtic Name: 3-(1-benzofuran-2-yl)-5-[(4-bromophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-(benzofuran-2-yl)-5-[(4-bromophenyl)methylsulfanyl]-4-isopropyl-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-5-[(4-bromophenyl)methylthio]-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-5-[(4-bromophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-(benzofuran-2-yl)-5-[(4-bromobenzyl)thio]-4-isopropyl-1,2,4-triazole Formula: C20H18BrN3OS MolecularWeight: 428.34542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H18BrN3OS/c1-13(2)24-19(18-11-15-5-3-4-6-17(15)25-18)22-23-20(24)26-12-14-7-9-16(21)10-8-14/h3-11,13H,12H2,1-2H3