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

Systemtic Name: (5E)-1-(2-methoxyphenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(2-methoxyphenyl)-5-[(1-prop-2-ynylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(2-methoxyphenyl)-5-[(1-prop-2-ynyl-3-indolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(2-methoxyphenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(2-methoxyphenyl)-5-[(1-propargylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H17N3O3S MolecularWeight: 415.46438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC#C)C(=O)NC2=S

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC#C)/C(=O)NC2=S

InChI

InChI=1S/C23H17N3O3S/c1-3-12-25-14-15(16-8-4-5-9-18(16)25)13-17-21(27)24-23(30)26(22(17)28)19-10-6-7-11-20(19)29-2/h1,4-11,13-14H,12H2,2H3,(H,24,27,30)/b17-13+