1-(4-ethylphenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-ethylphenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethylphenyl)-5-[(1-prop-2-ynylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethylphenyl)-5-[(1-prop-2-ynyl-3-indolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethylphenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-ethylphenyl)-5-[(1-propargylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C24H19N3O2S MolecularWeight: 413.49156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC#C)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC#C)C(=O)NC2=S

InChI

InChI=1S/C24H19N3O2S/c1-3-13-26-15-17(19-7-5-6-8-21(19)26)14-20-22(28)25-24(30)27(23(20)29)18-11-9-16(4-2)10-12-18/h1,5-12,14-15H,4,13H2,2H3,(H,25,28,30)