5-[[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 5-[[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-pentyl-2-thioxo-thiazolidin-4-one CAS Name: 5-[[3-(4-ethoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-pentyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[3-(4-ethoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-amyl-5-[[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OCC)C)C4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OCC)C)C4=CC=CC=C4)SC1=S

InChI

InChI=1S/C27H29N3O2S2/c1-4-6-10-15-29-26(31)24(34-27(29)33)17-20-18-30(21-11-8-7-9-12-21)28-25(20)23-14-13-22(32-5-2)16-19(23)3/h7-9,11-14,16-18H,4-6,10,15H2,1-3H3