5-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methylene]-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methylene]-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H21N5O4S MolecularWeight: 463.50894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H21N5O4S/c1-14-19(22(31)28(26(14)2)16-7-5-4-6-8-16)24-13-18-20(29)25-23(33)27(21(18)30)15-9-11-17(32-3)12-10-15/h4-13,24H,1-3H3,(H,25,29,33)