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

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-[4-(trifluoromethyloxy)phenyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-(p-tolylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N-[4-(trifluoromethoxy)phenyl]-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C18H13F3N4O3S MolecularWeight: 422.38103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3N4O3S/c1-11-2-8-14(9-3-11)29-17-15(25(26)27)16(22-10-23-17)24-12-4-6-13(7-5-12)28-18(19,20)21/h2-10H,1H3,(H,22,23,24)