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

Systemtic Name: S-(6-oxidanylidene-1,3,5-triphenyl-2-sulfanylidene-pyrimidin-4-yl) 4-methoxybenzenecarbothioate Openeye Name: S-(6-oxo-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl) 4-methoxybenzenecarbothioate CAS Name: 4-methoxybenzenecarbothioic 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-methoxybenzenecarbothioate Traditional Name: 4-methoxythiobenzoic acid S-(6-keto-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl) ester Formula: C30H22N2O3S2 MolecularWeight: 522.63728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C30H22N2O3S2/c1-35-25-19-17-22(18-20-25)29(34)37-28-26(21-11-5-2-6-12-21)27(33)31(23-13-7-3-8-14-23)30(36)32(28)24-15-9-4-10-16-24/h2-20H,1H3