5-(1,3-benzodioxol-5-ylmethylidene)-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylidene)-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(1,3-benzodioxol-5-ylmethylene)-1,3-bis(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(1,3-benzodioxol-5-ylmethylidene)-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylidene)-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-bis(o-tolyl)-5-piperonylidene-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C26H20N2O4S MolecularWeight: 456.513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)C(=O)N(C2=S)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)C(=O)N(C2=S)C5=CC=CC=C5C

InChI

InChI=1S/C26H20N2O4S/c1-16-7-3-5-9-20(16)27-24(29)19(13-18-11-12-22-23(14-18)32-15-31-22)25(30)28(26(27)33)21-10-6-4-8-17(21)2/h3-14H,15H2,1-2H3