5-[[3-methoxy-4-[2-(4-methylphenyl)sulfanylethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[3-methoxy-4-[2-(4-methylphenyl)sulfanylethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-methoxy-4-[2-(p-tolylsulfanyl)ethoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-methoxy-4-[2-[(4-methylphenyl)thio]ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-methoxy-4-[2-(4-methylphenyl)sulfanylethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-methoxy-4-[2-(p-tolylthio)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCOC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCOC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)OC

InChI

InChI=1S/C21H20N2O4S2/c1-13-3-6-15(7-4-13)29-10-9-27-17-8-5-14(12-18(17)26-2)11-16-19(24)22-21(28)23-20(16)25/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23,24,25,28)