6-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-cyclohexyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-cyclohexyl-4-keto-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-pyrimidine-5-carbonitrile Formula: C18H15F3N4O3S MolecularWeight: 424.39691

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C(=O)N=C(N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC(CC1)C2=C(C(=O)N=C(N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H15F3N4O3S/c19-18(20,21)11-6-7-14(13(8-11)25(27)28)29-17-23-15(10-4-2-1-3-5-10)12(9-22)16(26)24-17/h6-8,10H,1-5H2,(H,23,24,26)