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

Systemtic Name: 2-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-5-heptyl-pyrimidine Openeye Name: 2-[4-(difluoromethylsulfanyl)phenyl]-5-heptyl-pyrimidine CAS Name: 2-[4-(difluoromethylthio)phenyl]-5-heptylpyrimidine IUPAC Name: 2-[4-(difluoromethylsulfanyl)phenyl]-5-heptylpyrimidine Traditional Name: 2-[4-(difluoromethylthio)phenyl]-5-heptyl-pyrimidine Formula: C18H22F2N2S MolecularWeight: 336.442486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(F)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C18H22F2N2S/c1-2-3-4-5-6-7-14-12-21-17(22-13-14)15-8-10-16(11-9-15)23-18(19)20/h8-13,18H,2-7H2,1H3