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

Systemtic Name: 3-[(4-methylphenyl)methyl]-5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-(p-tolylmethyl)-2-thioxo-thiazolidin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-5-[[3-(3-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 3-[(4-methylphenyl)methyl]-5-[[3-(3-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-(4-methylbenzyl)-5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C31H29N3O2S2 MolecularWeight: 539.71086

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)C)C5=CC=CC=C5)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)C)C5=CC=CC=C5)C

InChI

InChI=1S/C31H29N3O2S2/c1-4-16-36-27-15-14-24(17-22(27)3)29-25(20-34(32-29)26-8-6-5-7-9-26)18-28-30(35)33(31(37)38-28)19-23-12-10-21(2)11-13-23/h5-15,17-18,20H,4,16,19H2,1-3H3