2-[3-(2-tert-butyl-4-chloranyl-phenoxy)propylsulfanyl]pyrimidine

Systemtic Name: 2-[3-(2-tert-butyl-4-chloranyl-phenoxy)propylsulfanyl]pyrimidine Openeye Name: 2-[3-(2-tert-butyl-4-chloro-phenoxy)propylsulfanyl]pyrimidine CAS Name: 2-[3-(2-tert-butyl-4-chlorophenoxy)propylthio]pyrimidine IUPAC Name: 2-[3-(2-tert-butyl-4-chlorophenoxy)propylsulfanyl]pyrimidine Traditional Name: 2-[3-(2-tert-butyl-4-chloro-phenoxy)propylthio]pyrimidine Formula: C17H21ClN2OS MolecularWeight: 336.87944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCCSC2=NC=CC=N2

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCCSC2=NC=CC=N2

InChI

InChI=1S/C17H21ClN2OS/c1-17(2,3)14-12-13(18)6-7-15(14)21-10-5-11-22-16-19-8-4-9-20-16/h4,6-9,12H,5,10-11H2,1-3H3