4-azanyl-2-[2-[2-[bis(fluoranyl)methoxy]-5-methyl-phenyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-[2-[bis(fluoranyl)methoxy]-5-methyl-phenyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-[2-(difluoromethoxy)-5-methyl-phenyl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-[2-(difluoromethoxy)-5-methyl-phenyl]-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C15H12F2N4O2S MolecularWeight: 350.343186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(F)F)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC(F)F)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C15H12F2N4O2S/c1-8-2-3-12(23-14(16)17)10(4-8)11(22)7-24-15-20-6-9(5-18)13(19)21-15/h2-4,6,14H,7H2,1H3,(H2,19,20,21)