5-[(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-chloro-5-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-chloro-5-ethoxy-4-propargyloxy-benzylidene)-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C24H21ClN2O4S MolecularWeight: 468.95254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN2O4S/c1-4-11-31-21-19(25)13-16(14-20(21)30-6-3)12-18-22(28)26-24(32)27(23(18)29)17-9-7-15(5-2)8-10-17/h1,7-10,12-14H,5-6,11H2,2-3H3,(H,26,28,32)