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

Systemtic Name: S-(6-oxidanylidene-1,3,5-triphenyl-2-sulfanylidene-pyrimidin-4-yl) 4-chloranylbenzenecarbothioate Openeye Name: S-(6-oxo-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl) 4-chlorobenzenecarbothioate CAS Name: 4-chlorobenzenecarbothioic 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) 4-chlorobenzenecarbothioate Traditional Name: 4-chlorothiobenzoic acid S-(6-keto-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl) ester Formula: C29H19ClN2O2S2 MolecularWeight: 527.05636

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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=C(C=C5)Cl

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=C(C=C5)Cl

InChI

InChI=1S/C29H19ClN2O2S2/c30-22-18-16-21(17-19-22)28(34)36-27-25(20-10-4-1-5-11-20)26(33)31(23-12-6-2-7-13-23)29(35)32(27)24-14-8-3-9-15-24/h1-19H