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

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-(p-tolylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C18H13F3N4O2S MolecularWeight: 406.38163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H13F3N4O2S/c1-11-5-7-14(8-6-11)28-17-15(25(26)27)16(22-10-23-17)24-13-4-2-3-12(9-13)18(19,20)21/h2-10H,1H3,(H,22,23,24)