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

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(3-methylphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(m-tolyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(3-methylphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(3-methylphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(m-tolyl)-4-phenyl-1,2,4-triazole Formula: C23H20BrN3OS MolecularWeight: 466.3934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrN3OS/c1-17-6-5-7-18(16-17)22-25-26-23(27(22)20-8-3-2-4-9-20)29-15-14-28-21-12-10-19(24)11-13-21/h2-13,16H,14-15H2,1H3