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

Systemtic Name: (5E)-5-[[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-benzyl-5-[[3-(4-isopentyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-5-[[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-3-(phenylmethyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-benzyl-5-[[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-benzyl-5-[[3-(4-isoamoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C32H31N3O2S2 MolecularWeight: 553.73744

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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)CC4=CC=CC=C4)C5=CC=CC=C5)OCCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CC4=CC=CC=C4)C5=CC=CC=C5)OCCC(C)C

InChI

InChI=1S/C32H31N3O2S2/c1-22(2)16-17-37-28-15-14-25(18-23(28)3)30-26(21-35(33-30)27-12-8-5-9-13-27)19-29-31(36)34(32(38)39-29)20-24-10-6-4-7-11-24/h4-15,18-19,21-22H,16-17,20H2,1-3H3/b29-19+