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

Systemtic Name: 3-(5-bromanyl-1-benzofuran-2-yl)-4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(5-bromobenzofuran-2-yl)-4-methyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(5-bromo-2-benzofuranyl)-4-methyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(5-bromo-1-benzofuran-2-yl)-4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(5-bromobenzofuran-2-yl)-4-methyl-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C19H16BrN3OS MolecularWeight: 414.31884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C19H16BrN3OS/c1-12-3-5-13(6-4-12)11-25-19-22-21-18(23(19)2)17-10-14-9-15(20)7-8-16(14)24-17/h3-10H,11H2,1-2H3