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

Systemtic Name: 5-[(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethylphenyl)-5-[(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-ethylphenyl)-5-[(1-isopropyl-2,5-dimethyl-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:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C(C)C)C)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C(C)C)C)C(=O)NC2=S

InChI

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