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

Systemtic Name: 4-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-tert-butylphenyl)-3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-one Formula: C19H20ClN3OS MolecularWeight: 373.8996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=O)NN=C2SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=O)NN=C2SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN3OS/c1-19(2,3)14-6-10-16(11-7-14)23-17(24)21-22-18(23)25-12-13-4-8-15(20)9-5-13/h4-11H,12H2,1-3H3,(H,21,24)