3-[2-(3-bromanylphenoxy)ethylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-4-methyl-5-(o-tolyl)-1,2,4-triazole CAS Name: 3-[2-(3-bromophenoxy)ethylthio]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-[2-(3-bromophenoxy)ethylthio]-4-methyl-5-(o-tolyl)-1,2,4-triazole Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCCOC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H18BrN3OS/c1-13-6-3-4-9-16(13)17-20-21-18(22(17)2)24-11-10-23-15-8-5-7-14(19)12-15/h3-9,12H,10-11H2,1-2H3