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

Systemtic Name: 5-(4-tert-butylphenyl)-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-tert-butylphenyl)-3-(p-tolylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-(4-tert-butylphenyl)-3-[(4-methylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-tert-butylphenyl)-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-tert-butylphenyl)-3-[(4-methylbenzyl)thio]-1H-1,2,4-triazole Formula: C20H23N3S MolecularWeight: 337.48172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H23N3S/c1-14-5-7-15(8-6-14)13-24-19-21-18(22-23-19)16-9-11-17(12-10-16)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,22,23)