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

Systemtic Name: 1-butyl-5-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-butyl-5-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-butyl-5-[[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-butyl-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-butyl-5-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-4-5-10-24-20(27)18(19(26)23-21(24)28)12-15-11-13(2)25(14(15)3)17-8-6-16(22)7-9-17/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,26,28)