S-pyrimidin-2-yl 4-methoxybenzenecarbothioate

Systemtic Name: S-pyrimidin-2-yl 4-methoxybenzenecarbothioate Openeye Name: S-pyrimidin-2-yl 4-methoxybenzenecarbothioate CAS Name: 4-methoxybenzenecarbothioic acid S-(2-pyrimidinyl) ester IUPAC Name: S-pyrimidin-2-yl 4-methoxybenzenecarbothioate Traditional Name: 4-methoxythiobenzoic acid S-(2-pyrimidyl) ester Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)SC2=NC=CC=N2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)SC2=NC=CC=N2

InChI

InChI=1S/C12H10N2O2S/c1-16-10-5-3-9(4-6-10)11(15)17-12-13-7-2-8-14-12/h2-8H,1H3