5-[[2-methyl-3-(3-nitrophenyl)carbonyl-indolizin-1-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[2-methyl-3-(3-nitrophenyl)carbonyl-indolizin-1-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2-methyl-3-(3-nitrobenzoyl)indolizin-1-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2-methyl-3-[(3-nitrophenyl)-oxomethyl]-1-indolizinyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2-methyl-3-(3-nitrobenzoyl)indolizin-1-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[2-methyl-3-(3-nitrobenzoyl)indolizin-1-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H14N4O5S MolecularWeight: 434.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1C=C3C(=O)NC(=S)NC3=O)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1C=C3C(=O)NC(=S)NC3=O)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O5S/c1-11-14(10-15-19(27)22-21(31)23-20(15)28)16-7-2-3-8-24(16)17(11)18(26)12-5-4-6-13(9-12)25(29)30/h2-10H,1H3,(H2,22,23,27,28,31)