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

Systemtic Name: 5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 3-isobutyl-5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: 5-[[3-(3-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[3-(3-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-isobutyl-5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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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)CC(C)C)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2S2/c1-5-13-32-23-12-11-20(14-19(23)4)25-21(17-30(28-25)22-9-7-6-8-10-22)15-24-26(31)29(16-18(2)3)27(33)34-24/h6-12,14-15,17-18H,5,13,16H2,1-4H3