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

Systemtic Name: 1-(2-chlorophenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(2-chlorophenyl)-5-[(1-prop-2-ynylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(2-chlorophenyl)-5-[(1-prop-2-ynyl-3-indolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(2-chlorophenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(2-chlorophenyl)-5-[(1-propargylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H14ClN3O2S MolecularWeight: 419.88346

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4Cl

Isomeric SMILES

C#CCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H14ClN3O2S/c1-2-11-25-13-14(15-7-3-5-9-18(15)25)12-16-20(27)24-22(29)26(21(16)28)19-10-6-4-8-17(19)23/h1,3-10,12-13H,11H2,(H,24,27,29)