3-(1,3-benzodioxol-5-ylmethyl)-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[(3-mesityl-1-phenyl-pyrazol-4-yl)methylene]-3-piperonyl-2-thioxo-thiazolidin-4-one Formula: C30H25N3O3S2 MolecularWeight: 539.6678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)C

InChI

InChI=1S/C30H25N3O3S2/c1-18-11-19(2)27(20(3)12-18)28-22(16-33(31-28)23-7-5-4-6-8-23)14-26-29(34)32(30(37)38-26)15-21-9-10-24-25(13-21)36-17-35-24/h4-14,16H,15,17H2,1-3H3