N-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: [4-chloro-3-(trifluoromethyl)phenyl]-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C20H11ClF3N5O2S MolecularWeight: 477.84685

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)Cl)C(F)(F)F)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)Cl)C(F)(F)F)N=CC=C2

InChI

InChI=1S/C20H11ClF3N5O2S/c21-14-7-6-12(9-13(14)20(22,23)24)28-18-17(29(30)31)19(27-10-26-18)32-15-5-1-3-11-4-2-8-25-16(11)15/h1-10H,(H,26,27,28)