S-(4-phenylpyrimidin-2-yl) pyridine-4-carbothioate

Systemtic Name: S-(4-phenylpyrimidin-2-yl) pyridine-4-carbothioate Openeye Name: S-(4-phenylpyrimidin-2-yl) pyridine-4-carbothioate CAS Name: 4-pyridinecarbothioic acid S-(4-phenyl-2-pyrimidinyl) ester IUPAC Name: S-(4-phenylpyrimidin-2-yl) pyridine-4-carbothioate Traditional Name: pyridine-4-carbothioic acid S-(4-phenylpyrimidin-2-yl) ester Formula: C16H11N3OS MolecularWeight: 293.34304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC=C2)SC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC=C2)SC(=O)C3=CC=NC=C3

InChI

InChI=1S/C16H11N3OS/c20-15(13-6-9-17-10-7-13)21-16-18-11-8-14(19-16)12-4-2-1-3-5-12/h1-11H