S-quinazolin-4-yl 3,5-dimethoxybenzenecarbothioate

Systemtic Name: S-quinazolin-4-yl 3,5-dimethoxybenzenecarbothioate Openeye Name: S-quinazolin-4-yl 3,5-dimethoxybenzenecarbothioate CAS Name: 3,5-dimethoxybenzenecarbothioic acid S-(4-quinazolinyl) ester IUPAC Name: S-quinazolin-4-yl 3,5-dimethoxybenzenecarbothioate Traditional Name: 3,5-dimethoxythiobenzoic acid S-quinazolin-4-yl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)SC2=NC=NC3=CC=CC=C32)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)SC2=NC=NC3=CC=CC=C32)OC

InChI

InChI=1S/C17H14N2O3S/c1-21-12-7-11(8-13(9-12)22-2)17(20)23-16-14-5-3-4-6-15(14)18-10-19-16/h3-10H,1-2H3