5-[[3-(4-butoxy-3-chloranyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 5-[[3-(4-butoxy-3-chloranyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-isobutyl-2-thioxo-thiazolidin-4-one CAS Name: 5-[[3-(4-butoxy-3-chlorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[3-(4-butoxy-3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-isobutyl-2-thioxo-thiazolidin-4-one Formula: C27H28ClN3O2S2 MolecularWeight: 526.11312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(C)C)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(C)C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H28ClN3O2S2/c1-4-5-13-33-23-12-11-19(14-22(23)28)25-20(17-31(29-25)21-9-7-6-8-10-21)15-24-26(32)30(16-18(2)3)27(34)35-24/h6-12,14-15,17-18H,4-5,13,16H2,1-3H3