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

Systemtic Name: 1-cyclohexyl-5-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-cyclohexyl-5-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-cyclohexyl-5-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-cyclohexyl-5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-cyclohexyl-5-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H25N5O3S MolecularWeight: 439.5306

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)C4CCCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C(=O)NC(=S)N(C3=O)C4CCCCC4

InChI

InChI=1S/C22H25N5O3S/c1-14-18(21(30)27(25(14)2)16-11-7-4-8-12-16)23-13-17-19(28)24-22(31)26(20(17)29)15-9-5-3-6-10-15/h4,7-8,11-13,15,23H,3,5-6,9-10H2,1-2H3,(H,24,28,31)