3-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-4-methyl-5-(p-tolyl)-1,2,4-triazole CAS Name: 3-[2-(2,6-dimethylphenoxy)ethylthio]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[2-(2,6-dimethylphenoxy)ethylthio]-4-methyl-5-(p-tolyl)-1,2,4-triazole Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCCOC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCCOC3=C(C=CC=C3C)C

InChI

InChI=1S/C20H23N3OS/c1-14-8-10-17(11-9-14)19-21-22-20(23(19)4)25-13-12-24-18-15(2)6-5-7-16(18)3/h5-11H,12-13H2,1-4H3