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

Systemtic Name: 4-(4-tert-butylphenyl)-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-tert-butylphenyl)-3-(p-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 4-(4-tert-butylphenyl)-3-[(4-methylphenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(4-tert-butylphenyl)-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-tert-butylphenyl)-3-[(4-methylbenzyl)thio]-1H-1,2,4-triazol-5-one Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NNC(=O)N2C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=O)N2C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H23N3OS/c1-14-5-7-15(8-6-14)13-25-19-22-21-18(24)23(19)17-11-9-16(10-12-17)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,24)