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

Systemtic Name: S-(6-oxidanylidene-1,3,5-triphenyl-2-sulfanylidene-pyrimidin-4-yl) 4-tert-butylbenzenecarbothioate Openeye Name: S-(6-oxo-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl) 4-tert-butylbenzenecarbothioate CAS Name: 4-tert-butylbenzenecarbothioic 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-tert-butylbenzenecarbothioate Traditional Name: 4-tert-butylthiobenzoic acid S-(6-keto-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl) ester Formula: C33H28N2O2S2 MolecularWeight: 548.71762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)SC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)SC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H28N2O2S2/c1-33(2,3)25-21-19-24(20-22-25)31(37)39-30-28(23-13-7-4-8-14-23)29(36)34(26-15-9-5-10-16-26)32(38)35(30)27-17-11-6-12-18-27/h4-22H,1-3H3