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

Systemtic Name: 5-(4-tert-butylphenyl)-3-[(2,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-tert-butylphenyl)-3-[(2,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(4-tert-butylphenyl)-3-[(2,4-dichlorophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-tert-butylphenyl)-3-[(2,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-tert-butylphenyl)-3-[(2,4-dichlorobenzyl)thio]-1H-1,2,4-triazole Formula: C19H19Cl2N3S MolecularWeight: 392.34526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H19Cl2N3S/c1-19(2,3)14-7-4-12(5-8-14)17-22-18(24-23-17)25-11-13-6-9-15(20)10-16(13)21/h4-10H,11H2,1-3H3,(H,22,23,24)