(E)-3-(4-pyrimidin-2-ylphenyl)prop-2-ene-1-thiol

Systemtic Name: (E)-3-(4-pyrimidin-2-ylphenyl)prop-2-ene-1-thiol Openeye Name: (E)-3-(4-pyrimidin-2-ylphenyl)prop-2-ene-1-thiol CAS Name: (E)-3-[4-(2-pyrimidinyl)phenyl]-2-propene-1-thiol IUPAC Name: (E)-3-(4-pyrimidin-2-ylphenyl)prop-2-ene-1-thiol Traditional Name: (E)-3-[4-(2-pyrimidyl)phenyl]prop-2-ene-1-thiol Formula: C13H12N2S MolecularWeight: 228.31278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)C2=CC=C(C=C2)C=CCS

Isomeric SMILES

C1=CN=C(N=C1)C2=CC=C(C=C2)/C=C/CS

InChI

InChI=1S/C13H12N2S/c16-10-1-3-11-4-6-12(7-5-11)13-14-8-2-9-15-13/h1-9,16H,10H2/b3-1+