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

Systemtic Name: 1-(4-ethoxyphenyl)-5-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethoxyphenyl)-5-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethoxyphenyl)-5-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethoxyphenyl)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OCC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OCC)C

InChI

InChI=1S/C21H23N3O3S/c1-5-23-13(3)11-15(14(23)4)12-18-19(25)22-21(28)24(20(18)26)16-7-9-17(10-8-16)27-6-2/h7-12H,5-6H2,1-4H3,(H,22,25,28)