4-[4-oxidanylidene-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 4-[4-oxidanylidene-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[4-oxo-5-[(5-phenyl-1H-pyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[4-oxo-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[4-oxo-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[4-keto-5-[(5-phenyl-1H-pyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=NN2)C=C3C(=O)N(C(=S)S3)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=NN2)C=C3C(=O)N(C(=S)S3)CCCC(=O)O

InChI

InChI=1S/C17H15N3O3S2/c21-14(22)7-4-8-20-16(23)13(25-17(20)24)9-12-10-18-19-15(12)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,18,19)(H,21,22)