5-tert-butyl-3-[2-(4-chloranylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-tert-butyl-3-[2-(4-chloranylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-tert-butyl-3-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-tert-butyl-3-[2-(4-chlorophenoxy)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-tert-butyl-3-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-tert-butyl-3-[2-(4-chlorophenoxy)ethylthio]-1H-1,2,4-triazole Formula: C14H18ClN3OS MolecularWeight: 311.83022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClN3OS/c1-14(2,3)12-16-13(18-17-12)20-9-8-19-11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3,(H,16,17,18)