3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-cyclohexyl-4-methyl-1,2,4-triazole

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-cyclohexyl-4-methyl-1,2,4-triazole Openeye Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-cyclohexyl-4-methyl-1,2,4-triazole CAS Name: 3-[2-(4-tert-butylphenoxy)ethylthio]-5-cyclohexyl-4-methyl-1,2,4-triazole IUPAC Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-cyclohexyl-4-methyl-1,2,4-triazole Traditional Name: 3-[2-(4-tert-butylphenoxy)ethylthio]-5-cyclohexyl-4-methyl-1,2,4-triazole Formula: C21H31N3OS MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NN=C(N2C)C3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NN=C(N2C)C3CCCCC3

InChI

InChI=1S/C21H31N3OS/c1-21(2,3)17-10-12-18(13-11-17)25-14-15-26-20-23-22-19(24(20)4)16-8-6-5-7-9-16/h10-13,16H,5-9,14-15H2,1-4H3