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

Systemtic Name: 4-(4-tert-butylphenyl)-3-[(3,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-tert-butylphenyl)-3-[(3,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(4-tert-butylphenyl)-3-[(3,4-dichlorophenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(4-tert-butylphenyl)-3-[(3,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-tert-butylphenyl)-3-[(3,4-dichlorobenzyl)thio]-1H-1,2,4-triazol-5-one Formula: C19H19Cl2N3OS MolecularWeight: 408.34466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2N3OS/c1-19(2,3)13-5-7-14(8-6-13)24-17(25)22-23-18(24)26-11-12-4-9-15(20)16(21)10-12/h4-10H,11H2,1-3H3,(H,22,25)