1-[(Z)-[1-(2-hydroxyphenyl)carbonyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-[(Z)-[1-(2-hydroxyphenyl)carbonyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[(Z)-[1-(2-hydroxybenzoyl)-5-oxo-3-phenyl-pyrazol-4-ylidene]methyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[(Z)-[1-[(2-hydroxyphenyl)-oxomethyl]-5-oxo-3-phenyl-4-pyrazolylidene]methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[(Z)-[1-(2-hydroxybenzoyl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-[(Z)-(5-keto-3-phenyl-1-salicyloyl-2-pyrazolin-4-ylidene)methyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H14N4O5S MolecularWeight: 434.42466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=S)N(C1=O)C=C2C(=NN(C2=O)C(=O)C3=CC=CC=C3O)C4=CC=CC=C4

Isomeric SMILES

C1C(=O)NC(=S)N(C1=O)/C=C\2/C(=NN(C2=O)C(=O)C3=CC=CC=C3O)C4=CC=CC=C4

InChI

InChI=1S/C21H14N4O5S/c26-15-9-5-4-8-13(15)19(29)25-20(30)14(18(23-25)12-6-2-1-3-7-12)11-24-17(28)10-16(27)22-21(24)31/h1-9,11,26H,10H2,(H,22,27,31)/b14-11-