3-[2-(4-chloranylphenoxy)ethylsulfanyl]-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[2-(4-chloranylphenoxy)ethylsulfanyl]-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[2-(4-chlorophenoxy)ethylsulfanyl]-4-isobutyl-5-phenyl-1,2,4-triazole CAS Name: 3-[2-(4-chlorophenoxy)ethylthio]-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(4-chlorophenoxy)ethylsulfanyl]-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-chlorophenoxy)ethylthio]-4-isobutyl-5-phenyl-1,2,4-triazole Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCCOC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCCOC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3OS/c1-15(2)14-24-19(16-6-4-3-5-7-16)22-23-20(24)26-13-12-25-18-10-8-17(21)9-11-18/h3-11,15H,12-14H2,1-2H3