1-(4-ethoxyphenyl)-5-[[(4S)-3-methylidene-5-oxidanylidene-1-phenyl-pyrazolidin-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-ethoxyphenyl)-5-[[(4S)-3-methylidene-5-oxidanylidene-1-phenyl-pyrazolidin-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethoxyphenyl)-5-[[(4S)-3-methylene-5-oxo-1-phenyl-pyrazolidin-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethoxyphenyl)-5-[[(4S)-3-methylene-5-oxo-1-phenyl-4-pyrazolidinyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethoxyphenyl)-5-[[(4S)-3-methylidene-5-oxo-1-phenylpyrazolidin-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[(4S)-5-keto-3-methylene-1-phenyl-pyrazolidin-4-yl]methylene]-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3C(=C)NN(C3=O)C4=CC=CC=C4)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=C[C@H]3C(=C)NN(C3=O)C4=CC=CC=C4)C(=O)NC2=S

InChI

InChI=1S/C23H20N4O4S/c1-3-31-17-11-9-15(10-12-17)26-21(29)19(20(28)24-23(26)32)13-18-14(2)25-27(22(18)30)16-7-5-4-6-8-16/h4-13,18,25H,2-3H2,1H3,(H,24,28,32)/t18-/m0/s1