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

Systemtic Name: 1-(4-ethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethylphenyl)-5-[(1-methylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethylphenyl)-5-[(1-methyl-3-indolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-ethylphenyl)-5-[(1-methylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2S/c1-3-14-8-10-16(11-9-14)25-21(27)18(20(26)23-22(25)28)12-15-13-24(2)19-7-5-4-6-17(15)19/h4-13H,3H2,1-2H3,(H,23,26,28)