2-chloranyl-N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-4-prop-2-enylsulfanyl-pyrimidin-5-amine

Systemtic Name: 2-chloranyl-N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-4-prop-2-enylsulfanyl-pyrimidin-5-amine Openeye Name: 4-allylsulfanyl-2-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]pyrimidin-5-amine CAS Name: 2-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(prop-2-enylthio)-5-pyrimidinamine IUPAC Name: 2-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-4-prop-2-enylsulfanylpyrimidin-5-amine Traditional Name: [4-(allylthio)-2-chloro-pyrimidin-5-yl]-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C14H8Cl2F3N5O4S MolecularWeight: 470.21063

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=NC=C1NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])Cl

Isomeric SMILES

C=CCSC1=NC(=NC=C1NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H8Cl2F3N5O4S/c1-2-3-29-12-7(5-20-13(16)22-12)21-10-8(23(25)26)4-6(14(17,18)19)9(15)11(10)24(27)28/h2,4-5,21H,1,3H2