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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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