N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-sulfanyl-ethanamide; 4,6-dimethyl-2-phenyl-pyrimidine

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-sulfanyl-ethanamide; 4,6-dimethyl-2-phenyl-pyrimidine Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-sulfanyl-acetamide; 4,6-dimethyl-2-phenyl-pyrimidine CAS Name: N-[4-(difluoromethylthio)phenyl]-2-mercaptoacetamide; 4,6-dimethyl-2-phenylpyrimidine IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-sulfanylacetamide; 4,6-dimethyl-2-phenylpyrimidine Traditional Name: N-[4-(difluoromethylthio)phenyl]-2-mercapto-acetamide; 4,6-dimethyl-2-phenyl-pyrimidine Formula: C21H21F2N3OS2 MolecularWeight: 433.537746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC=CC=C2)C.C1=CC(=CC=C1NC(=O)CS)SC(F)F

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC=CC=C2)C.C1=CC(=CC=C1NC(=O)CS)SC(F)F

InChI

InChI=1S/C12H12N2.C9H9F2NOS2/c1-9-8-10(2)14-12(13-9)11-6-4-3-5-7-11;10-9(11)15-7-3-1-6(2-4-7)12-8(13)5-14/h3-8H,1-2H3;1-4,9,14H,5H2,(H,12,13)