1-butyl-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-butyl-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-butyl-5-[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-butyl-5-[[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-butyl-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-butyl-5-[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C)C)C(=O)NC1=S

Isomeric SMILES

CCCCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C)C)C(=O)NC1=S

InChI

InChI=1S/C22H25N3O2S/c1-5-6-11-24-21(27)19(20(26)23-22(24)28)13-17-12-15(3)25(16(17)4)18-9-7-14(2)8-10-18/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,26,28)