3-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H27N3OS/c1-16-8-6-7-9-19(16)26-14-20-23-24-21(25(20)5)27-15-17-10-12-18(13-11-17)22(2,3)4/h6-13H,14-15H2,1-5H3