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

Systemtic Name: 2-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-5-heptoxy-pyrimidine Openeye Name: 2-[4-(difluoromethylsulfanyl)phenyl]-5-heptoxy-pyrimidine CAS Name: 2-[4-(difluoromethylthio)phenyl]-5-heptoxypyrimidine IUPAC Name: 2-[4-(difluoromethylsulfanyl)phenyl]-5-heptoxypyrimidine Traditional Name: 2-[4-(difluoromethylthio)phenyl]-5-heptoxy-pyrimidine Formula: C18H22F2N2OS MolecularWeight: 352.441886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)SC(F)F

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C18H22F2N2OS/c1-2-3-4-5-6-11-23-15-12-21-17(22-13-15)14-7-9-16(10-8-14)24-18(19)20/h7-10,12-13,18H,2-6,11H2,1H3