methyl (E)-2-phenyl-3-(pyrimidin-2-ylamino)prop-2-enedithioate

Systemtic Name: methyl (E)-2-phenyl-3-(pyrimidin-2-ylamino)prop-2-enedithioate Openeye Name: methyl (E)-2-phenyl-3-(pyrimidin-2-ylamino)prop-2-enedithioate CAS Name: (E)-2-phenyl-3-(2-pyrimidinylamino)-2-propenedithioic acid methyl ester IUPAC Name: methyl (E)-2-phenyl-3-(pyrimidin-2-ylamino)prop-2-enedithioate Traditional Name: (E)-2-phenyl-3-(2-pyrimidylamino)prop-2-enedithioic acid methyl ester Formula: C14H13N3S2 MolecularWeight: 287.40312

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)C(=CNC1=NC=CC=N1)C2=CC=CC=C2

Isomeric SMILES

CSC(=S)/C(=C/NC1=NC=CC=N1)/C2=CC=CC=C2

InChI

InChI=1S/C14H13N3S2/c1-19-13(18)12(11-6-3-2-4-7-11)10-17-14-15-8-5-9-16-14/h2-10H,1H3,(H,15,16,17)/b12-10+