1,3,7-tris(4-methylphenyl)-2-sulfanylidene-pyrano[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 1,3,7-tris(4-methylphenyl)-2-sulfanylidene-pyrano[2,3-d]pyrimidine-4,5-dione Openeye Name: 1,3,7-tris(p-tolyl)-2-thioxo-pyrano[2,3-d]pyrimidine-4,5-dione CAS Name: 1,3,7-tris(4-methylphenyl)-2-sulfanylidenepyrano[2,3-d]pyrimidine-4,5-dione IUPAC Name: 1,3,7-tris(4-methylphenyl)-2-sulfanylidenepyrano[2,3-d]pyrimidine-4,5-dione Traditional Name: 1,3,7-tris(p-tolyl)-2-thioxo-pyrano[2,3-d]pyrimidine-4,5-quinone Formula: C28H22N2O3S MolecularWeight: 466.55088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)N(C(=S)N(C3=O)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)N(C(=S)N(C3=O)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H22N2O3S/c1-17-4-10-20(11-5-17)24-16-23(31)25-26(32)29(21-12-6-18(2)7-13-21)28(34)30(27(25)33-24)22-14-8-19(3)9-15-22/h4-16H,1-3H3