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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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