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

Systemtic Name: 1,3-dimethyl-5-[(1-prop-2-ynylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-dimethyl-5-[(1-prop-2-ynylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-dimethyl-5-[(1-prop-2-ynyl-3-indolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-dimethyl-5-[(1-prop-2-ynylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-dimethyl-5-[(1-propargylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC#C)C(=O)N(C1=S)C

Isomeric SMILES

CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC#C)C(=O)N(C1=S)C

InChI

InChI=1S/C18H15N3O2S/c1-4-9-21-11-12(13-7-5-6-8-15(13)21)10-14-16(22)19(2)18(24)20(3)17(14)23/h1,5-8,10-11H,9H2,2-3H3