phenyl (E)-3-methylsulfanyl-2-[[(E)-pyrimidin-2-yliminomethyl]sulfanylmethyl]prop-2-enoate

Systemtic Name: phenyl (E)-3-methylsulfanyl-2-[[(E)-pyrimidin-2-yliminomethyl]sulfanylmethyl]prop-2-enoate Openeye Name: phenyl (E)-3-methylsulfanyl-2-[[(E)-pyrimidin-2-yliminomethyl]sulfanylmethyl]prop-2-enoate CAS Name: (E)-3-(methylthio)-2-[[[(E)-2-pyrimidinyliminomethyl]thio]methyl]-2-propenoic acid phenyl ester IUPAC Name: phenyl (E)-3-methylsulfanyl-2-[[(E)-pyrimidin-2-yliminomethyl]sulfanylmethyl]prop-2-enoate Traditional Name: (E)-3-(methylthio)-2-[[[(E)-2-pyrimidyliminomethyl]thio]methyl]acrylic acid phenyl ester Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CSC=C(CSC=NC1=NC=CC=N1)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CS/C=C(/CS/C=N/C1=NC=CC=N1)\C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C16H15N3O2S2/c1-22-10-13(15(20)21-14-6-3-2-4-7-14)11-23-12-19-16-17-8-5-9-18-16/h2-10,12H,11H2,1H3/b13-10-,19-12+