(E)-3-[5-azanyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[5-azanyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-phenyl]prop-2-enoate Openeye Name: (E)-3-[5-amino-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]prop-2-enoate CAS Name: (E)-3-[5-amino-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]phenyl]-2-propenoate IUPAC Name: (E)-3-[5-amino-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]prop-2-enoate Traditional Name: (E)-3-[5-amino-2-[[5-(trifluoromethyl)-2-pyridyl]thio]phenyl]acrylate Formula: C15H10F3N2O2S- MolecularWeight: 339.31231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)C=CC(=O)[O-])SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1N)/C=C/C(=O)[O-])SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H11F3N2O2S/c16-15(17,18)10-2-5-13(20-8-10)23-12-4-3-11(19)7-9(12)1-6-14(21)22/h1-8H,19H2,(H,21,22)/p-1/b6-1+