S-(4-methyl-6-phenyl-pyrimidin-2-yl) benzenecarbothioate

Systemtic Name: S-(4-methyl-6-phenyl-pyrimidin-2-yl) benzenecarbothioate Openeye Name: S-(4-methyl-6-phenyl-pyrimidin-2-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(4-methyl-6-phenyl-2-pyrimidinyl) ester IUPAC Name: S-(4-methyl-6-phenylpyrimidin-2-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(4-methyl-6-phenyl-pyrimidin-2-yl) ester Formula: C18H14N2OS MolecularWeight: 306.38156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2OS/c1-13-12-16(14-8-4-2-5-9-14)20-18(19-13)22-17(21)15-10-6-3-7-11-15/h2-12H,1H3