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

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-5-nitro-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C17H10ClF3N4O2S MolecularWeight: 426.80011

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H10ClF3N4O2S/c18-11-4-6-13(7-5-11)28-16-14(25(26)27)15(22-9-23-16)24-12-3-1-2-10(8-12)17(19,20)21/h1-9H,(H,22,23,24)