3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCCOC2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCCOC2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22BrN3O2S/c1-14(2)24-19(15-4-8-17(25-3)9-5-15)22-23-20(24)27-13-12-26-18-10-6-16(21)7-11-18/h4-11,14H,12-13H2,1-3H3