5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 3-allyl-5-[[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: 5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-allyl-5-[[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC=C)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC=C)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S2/c1-4-14-28-25(30)23(33-26(28)32)15-20-16-29(21-8-6-5-7-9-21)27-24(20)19-10-12-22(13-11-19)31-17-18(2)3/h4-13,15-16,18H,1,14,17H2,2-3H3