2-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-5-hexyl-pyrimidine

Systemtic Name: 2-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-5-hexyl-pyrimidine Openeye Name: 2-[4-(difluoromethylsulfanyl)phenyl]-5-hexyl-pyrimidine CAS Name: 2-[4-(difluoromethylthio)phenyl]-5-hexylpyrimidine IUPAC Name: 2-[4-(difluoromethylsulfanyl)phenyl]-5-hexylpyrimidine Traditional Name: 2-[4-(difluoromethylthio)phenyl]-5-hexyl-pyrimidine Formula: C17H20F2N2S MolecularWeight: 322.415906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(F)F

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C17H20F2N2S/c1-2-3-4-5-6-13-11-20-16(21-12-13)14-7-9-15(10-8-14)22-17(18)19/h7-12,17H,2-6H2,1H3