4-[5-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[2-(4-bromophenoxy)ethylsulfanyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[2-(4-bromophenoxy)ethylthio]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[2-(4-bromophenoxy)ethylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[2-(4-bromophenoxy)ethylthio]-4-(o-tolyl)-1,2,4-triazol-3-yl]pyridine Formula: C22H19BrN4OS MolecularWeight: 467.38146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C22H19BrN4OS/c1-16-4-2-3-5-20(16)27-21(17-10-12-24-13-11-17)25-26-22(27)29-15-14-28-19-8-6-18(23)7-9-19/h2-13H,14-15H2,1H3