3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[(1-phenyl-3-p-phenetyl-pyrazol-4-yl)methylene]-3-piperonyl-2-thioxo-thiazolidin-4-one Formula: C29H23N3O4S2 MolecularWeight: 541.64062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C29H23N3O4S2/c1-2-34-23-11-9-20(10-12-23)27-21(17-32(30-27)22-6-4-3-5-7-22)15-26-28(33)31(29(37)38-26)16-19-8-13-24-25(14-19)36-18-35-24/h3-15,17H,2,16,18H2,1H3