3-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-5-(4-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-5-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-5-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-ethyl-5-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-5-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-ethyl-5-(p-tolyl)-1,2,4-triazole Formula: C22H27N3S MolecularWeight: 365.53488

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27N3S/c1-6-25-20(18-11-7-16(2)8-12-18)23-24-21(25)26-15-17-9-13-19(14-10-17)22(3,4)5/h7-14H,6,15H2,1-5H3