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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCSC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C

InChI

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