2-[4-(2-chloranyl-3,6-dimethyl-phenoxy)butylsulfanyl]pyrimidine

Systemtic Name: 2-[4-(2-chloranyl-3,6-dimethyl-phenoxy)butylsulfanyl]pyrimidine Openeye Name: 2-[4-(2-chloro-3,6-dimethyl-phenoxy)butylsulfanyl]pyrimidine CAS Name: 2-[4-(2-chloro-3,6-dimethylphenoxy)butylthio]pyrimidine IUPAC Name: 2-[4-(2-chloro-3,6-dimethylphenoxy)butylsulfanyl]pyrimidine Traditional Name: 2-[4-(2-chloro-3,6-dimethyl-phenoxy)butylthio]pyrimidine Formula: C16H19ClN2OS MolecularWeight: 322.85286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)Cl)OCCCCSC2=NC=CC=N2

Isomeric SMILES

CC1=C(C(=C(C=C1)C)Cl)OCCCCSC2=NC=CC=N2

InChI

InChI=1S/C16H19ClN2OS/c1-12-6-7-13(2)15(14(12)17)20-10-3-4-11-21-16-18-8-5-9-19-16/h5-9H,3-4,10-11H2,1-2H3