N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C17H11ClF3N5O2S MolecularWeight: 441.81475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C17H11ClF3N5O2S/c1-9-2-4-11(5-3-9)29-16-13(26(27)28)15(23-8-24-16)25-14-12(18)6-10(7-22-14)17(19,20)21/h2-8H,1H3,(H,22,23,24,25)