5-nitro-6-phenylsulfanyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: 5-nitro-6-phenylsulfanyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-phenylsulfanyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(phenylthio)-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-phenylsulfanyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [5-nitro-6-(phenylthio)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C17H11F3N4O2S MolecularWeight: 392.35505

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H11F3N4O2S/c18-17(19,20)11-5-4-6-12(9-11)23-15-14(24(25)26)16(22-10-21-15)27-13-7-2-1-3-8-13/h1-10H,(H,21,22,23)