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

Systemtic Name: 5-[[(4S)-3-methylidene-5-oxidanylidene-1-phenyl-pyrazolidin-4-yl]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[(4S)-3-methylene-5-oxo-1-phenyl-pyrazolidin-4-yl]methylene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[(4S)-3-methylene-5-oxo-1-phenyl-4-pyrazolidinyl]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[(4S)-3-methylidene-5-oxo-1-phenylpyrazolidin-4-yl]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[(4S)-5-keto-3-methylene-1-phenyl-pyrazolidin-4-yl]methylene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H18N4O3S MolecularWeight: 418.46832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3C(=C)NN(C3=O)C4=CC=CC=C4)C(=O)NC2=S

Isomeric SMILES

CC1=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/C22H18N4O3S/c1-13-8-10-15(11-9-13)25-20(28)18(19(27)23-22(25)30)12-17-14(2)24-26(21(17)29)16-6-4-3-5-7-16/h3-12,17,24H,2H2,1H3,(H,23,27,30)/t17-/m0/s1