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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]-3-piperonyl-2-thioxo-thiazolidin-4-one Formula: C28H21N3O3S2 MolecularWeight: 511.61464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C28H21N3O3S2/c1-18-7-10-20(11-8-18)26-21(16-31(29-26)22-5-3-2-4-6-22)14-25-27(32)30(28(35)36-25)15-19-9-12-23-24(13-19)34-17-33-23/h2-14,16H,15,17H2,1H3