S-(3-cyano-4,6-diphenyl-pyridin-2-yl) 3,5-dimethoxybenzenecarbothioate

Systemtic Name: S-(3-cyano-4,6-diphenyl-pyridin-2-yl) 3,5-dimethoxybenzenecarbothioate Openeye Name: S-(3-cyano-4,6-diphenyl-2-pyridyl) 3,5-dimethoxybenzenecarbothioate CAS Name: 3,5-dimethoxybenzenecarbothioic acid S-(3-cyano-4,6-diphenyl-2-pyridinyl) ester IUPAC Name: S-(3-cyano-4,6-diphenylpyridin-2-yl) 3,5-dimethoxybenzenecarbothioate Traditional Name: 3,5-dimethoxythiobenzoic acid S-(3-cyano-4,6-diphenyl-2-pyridyl) ester Formula: C27H20N2O3S MolecularWeight: 452.5243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C27H20N2O3S/c1-31-21-13-20(14-22(15-21)32-2)27(30)33-26-24(17-28)23(18-9-5-3-6-10-18)16-25(29-26)19-11-7-4-8-12-19/h3-16H,1-2H3