5-[[1-methyl-4-(2-phenylethanoyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-methyl-4-(2-phenylethanoyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-methyl-4-(2-phenylacetyl)pyrrol-2-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-methyl-4-(1-oxo-2-phenylethyl)-2-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-methyl-4-(2-phenylacetyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-methyl-4-(2-phenylacetyl)pyrrol-2-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C=C2C(=O)NC(=S)NC2=O)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=C1C=C2C(=O)NC(=S)NC2=O)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3S/c1-21-10-12(15(22)7-11-5-3-2-4-6-11)8-13(21)9-14-16(23)19-18(25)20-17(14)24/h2-6,8-10H,7H2,1H3,(H2,19,20,23,24,25)