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

Systemtic Name: S-(6-oxidanylidene-1,3,5-triphenyl-2-sulfanylidene-pyrimidin-4-yl) 2-(4-chloranylphenoxy)-2-methyl-propanethioate Openeye Name: S-(6-oxo-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl) 2-(4-chlorophenoxy)-2-methyl-propanethioate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanethioic 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) 2-(4-chlorophenoxy)-2-methylpropanethioate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propanethioic acid S-(6-keto-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl) ester Formula: C32H25ClN2O3S2 MolecularWeight: 585.1355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)SC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)OC5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C)(C(=O)SC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)OC5=CC=C(C=C5)Cl

InChI

InChI=1S/C32H25ClN2O3S2/c1-32(2,38-26-20-18-23(33)19-21-26)30(37)40-29-27(22-12-6-3-7-13-22)28(36)34(24-14-8-4-9-15-24)31(39)35(29)25-16-10-5-11-17-25/h3-21H,1-2H3