N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-chloranyl-6-methyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-chloranyl-6-methyl-5-nitro-pyrimidin-4-amine Openeye Name: 2-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-6-methyl-5-nitro-pyrimidin-4-amine CAS Name: 2-chloro-N-[4-(difluoromethylthio)phenyl]-6-methyl-5-nitro-4-pyrimidinamine IUPAC Name: 2-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-6-methyl-5-nitropyrimidin-4-amine Traditional Name: (2-chloro-6-methyl-5-nitro-pyrimidin-4-yl)-[4-(difluoromethylthio)phenyl]amine Formula: C12H9ClF2N4O2S MolecularWeight: 346.740266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)Cl)NC2=CC=C(C=C2)SC(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)Cl)NC2=CC=C(C=C2)SC(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClF2N4O2S/c1-6-9(19(20)21)10(18-11(13)16-6)17-7-2-4-8(5-3-7)22-12(14)15/h2-5,12H,1H3,(H,16,17,18)