N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

Systemtic Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine Openeye Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]-5-(trifluoromethyl)pyridin-2-amine CAS Name: N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]-5-(trifluoromethyl)-2-pyridinamine IUPAC Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine Traditional Name: [(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]-[5-(trifluoromethyl)-2-pyridyl]amine Formula: C17H11F3N6O2S MolecularWeight: 420.36845

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=C(C=C(C=C2)C=NNC3=NC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H11F3N6O2S/c18-17(19,20)12-3-5-15(23-10-12)25-24-9-11-2-4-14(13(8-11)26(27)28)29-16-21-6-1-7-22-16/h1-10H,(H,23,25)/b24-9+