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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCCOC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCCOC3=CC=C(C=C3)C(C)(C)C

InChI

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