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

Systemtic Name: 1-(4-ethylphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethylphenyl)-5-[(4-prop-2-ynoxyphenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethylphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethylphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-ethylphenyl)-5-(4-propargyloxybenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC#C)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC#C)C(=O)NC2=S

InChI

InChI=1S/C22H18N2O3S/c1-3-13-27-18-11-7-16(8-12-18)14-19-20(25)23-22(28)24(21(19)26)17-9-5-15(4-2)6-10-17/h1,5-12,14H,4,13H2,2H3,(H,23,25,28)