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

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: [4-chloro-3-(trifluoromethyl)phenyl]-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C17H10ClF3N4O2S MolecularWeight: 426.80011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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