S-(4-methyl-6-phenyl-pyrimidin-2-yl) pyridine-3-carbothioate

Systemtic Name: S-(4-methyl-6-phenyl-pyrimidin-2-yl) pyridine-3-carbothioate Openeye Name: S-(4-methyl-6-phenyl-pyrimidin-2-yl) pyridine-3-carbothioate CAS Name: 3-pyridinecarbothioic acid S-(4-methyl-6-phenyl-2-pyrimidinyl) ester IUPAC Name: S-(4-methyl-6-phenylpyrimidin-2-yl) pyridine-3-carbothioate Traditional Name: pyridine-3-carbothioic acid S-(4-methyl-6-phenyl-pyrimidin-2-yl) ester Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H13N3OS/c1-12-10-15(13-6-3-2-4-7-13)20-17(19-12)22-16(21)14-8-5-9-18-11-14/h2-11H,1H3