(6-cyano-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 4-chloranylbenzoate

Systemtic Name: (6-cyano-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 4-chloranylbenzoate Openeye Name: (6-cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (6-cyano-4-oxo-1,3-diphenyl-2-sulfanylidene-5-thieno[2,3-d]pyrimidinyl) ester IUPAC Name: (6-cyano-4-oxo-1,3-diphenyl-2-sulfanylidenethieno[2,3-d]pyrimidin-5-yl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (6-cyano-4-keto-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) ester Formula: C26H14ClN3O3S2 MolecularWeight: 515.99066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=CC=C(C=C4)Cl)C(=O)N(C2=S)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=CC=C(C=C4)Cl)C(=O)N(C2=S)C5=CC=CC=C5

InChI

InChI=1S/C26H14ClN3O3S2/c27-17-13-11-16(12-14-17)25(32)33-22-20(15-28)35-24-21(22)23(31)29(18-7-3-1-4-8-18)26(34)30(24)19-9-5-2-6-10-19/h1-14H