5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)NC3=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)NC3=O)C4=CC=CC=C4

InChI

InChI=1S/C24H22N4O3S/c1-15(2)14-31-19-10-8-16(9-11-19)21-17(12-20-22(29)25-24(32)26-23(20)30)13-28(27-21)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H2,25,26,29,30,32)