5-tert-butyl-3-[(3-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-tert-butyl-3-[(3-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-tert-butyl-3-[(3-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-tert-butyl-3-[(3-chlorophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-tert-butyl-3-[(3-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-tert-butyl-3-[(3-chlorobenzyl)thio]-1H-1,2,4-triazole Formula: C13H16ClN3S MolecularWeight: 281.80424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H16ClN3S/c1-13(2,3)11-15-12(17-16-11)18-8-9-5-4-6-10(14)7-9/h4-7H,8H2,1-3H3,(H,15,16,17)