S-pyrimidin-2-yl 3,5-dimethoxybenzenecarbothioate

Systemtic Name: S-pyrimidin-2-yl 3,5-dimethoxybenzenecarbothioate Openeye Name: S-pyrimidin-2-yl 3,5-dimethoxybenzenecarbothioate CAS Name: 3,5-dimethoxybenzenecarbothioic acid S-(2-pyrimidinyl) ester IUPAC Name: S-pyrimidin-2-yl 3,5-dimethoxybenzenecarbothioate Traditional Name: 3,5-dimethoxythiobenzoic acid S-(2-pyrimidyl) ester Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3S/c1-17-10-6-9(7-11(8-10)18-2)12(16)19-13-14-4-3-5-15-13/h3-8H,1-2H3