S-(6-oxidanylidene-1,3,5-triphenyl-2-sulfanylidene-pyrimidin-4-yl) benzenecarbothioate

Systemtic Name: S-(6-oxidanylidene-1,3,5-triphenyl-2-sulfanylidene-pyrimidin-4-yl) benzenecarbothioate Openeye Name: S-(6-oxo-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(6-oxo-1,3,5-triphenyl-2-sulfanylidene-4-pyrimidinyl) ester IUPAC Name: S-(6-oxo-1,3,5-triphenyl-2-sulfanylidenepyrimidin-4-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(6-keto-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl) ester Formula: C29H20N2O2S2 MolecularWeight: 492.6113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H20N2O2S2/c32-26-25(21-13-5-1-6-14-21)27(35-28(33)22-15-7-2-8-16-22)31(24-19-11-4-12-20-24)29(34)30(26)23-17-9-3-10-18-23/h1-20H