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

Systemtic Name: S-(6-oxidanylidene-1,3,5-triphenyl-2-sulfanylidene-pyrimidin-4-yl) thiophene-2-carbothioate Openeye Name: S-(6-oxo-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl) thiophene-2-carbothioate CAS Name: 2-thiophenecarbothioic 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) thiophene-2-carbothioate Traditional Name: thiophene-2-carbothioic acid S-(6-keto-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl) ester Formula: C27H18N2O2S3 MolecularWeight: 498.63902

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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=CS5

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=CS5

InChI

InChI=1S/C27H18N2O2S3/c30-24-23(19-11-4-1-5-12-19)25(34-26(31)22-17-10-18-33-22)29(21-15-8-3-9-16-21)27(32)28(24)20-13-6-2-7-14-20/h1-18H