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

Systemtic Name: 5-[[1-(2-ethyl-6-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[[1-(2-ethyl-6-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(2-ethyl-6-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(2-ethyl-6-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[[1-(2-ethyl-6-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)CC=C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)CC=C)C)C

InChI

InChI=1S/C23H25N3O2S/c1-6-11-25-22(28)19(21(27)24-23(25)29)13-18-12-15(4)26(16(18)5)20-14(3)9-8-10-17(20)7-2/h6,8-10,12-13H,1,7,11H2,2-5H3,(H,24,27,29)