ethanoic acid; (5E)-5-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: ethanoic acid; (5E)-5-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: acetic acid; (5E)-5-[[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-isopropyl-2-thioxo-thiazolidin-4-one CAS Name: acetic acid; (5E)-5-[[1-phenyl-3-(4-prop-2-enoxyphenyl)-4-pyrazolyl]methylidene]-3-propan-2-yl-2-sulfanylidene-4-thiazolidinone IUPAC Name: acetic acid; (5E)-5-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: acetic acid; (5E)-5-[[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-isopropyl-2-thioxo-thiazolidin-4-one Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC=C)C4=CC=CC=C4)SC1=S.CC(=O)O

Isomeric SMILES

CC(C)N1C(=O)/C(=C\C2=CN(N=C2C3=CC=C(C=C3)OCC=C)C4=CC=CC=C4)/SC1=S.CC(=O)O

InChI

InChI=1S/C25H23N3O2S2.C2H4O2/c1-4-14-30-21-12-10-18(11-13-21)23-19(16-27(26-23)20-8-6-5-7-9-20)15-22-24(29)28(17(2)3)25(31)32-22;1-2(3)4/h4-13,15-17H,1,14H2,2-3H3;1H3,(H,3,4)/b22-15+;