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

Systemtic Name: 1-(2,3-dimethylphenyl)-5-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(2,3-dimethylphenyl)-5-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(2,3-dimethylphenyl)-5-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(2,3-dimethylphenyl)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(2,3-dimethylphenyl)-5-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3C)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3C)C)C

InChI

InChI=1S/C21H23N3O2S/c1-6-23-13(3)10-16(15(23)5)11-17-19(25)22-21(27)24(20(17)26)18-9-7-8-12(2)14(18)4/h7-11H,6H2,1-5H3,(H,22,25,27)