S-pyrimidin-2-yl 3,4-dimethoxybenzenecarbothioate

Systemtic Name: S-pyrimidin-2-yl 3,4-dimethoxybenzenecarbothioate Openeye Name: S-pyrimidin-2-yl 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-(2-pyrimidinyl) ester IUPAC Name: S-pyrimidin-2-yl 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-(2-pyrimidyl) ester Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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