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

Systemtic Name: 3-methyl-5-[[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[3-(4-isopentyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one CAS Name: 3-methyl-5-[[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 3-methyl-5-[[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[3-(4-isoamoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C)C4=CC=CC=C4)OCCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C)C4=CC=CC=C4)OCCC(C)C

InChI

InChI=1S/C26H27N3O2S2/c1-17(2)12-13-31-22-11-10-19(14-18(22)3)24-20(15-23-25(30)28(4)26(32)33-23)16-29(27-24)21-8-6-5-7-9-21/h5-11,14-17H,12-13H2,1-4H3