3-[(5Z)-4-oxidanylidene-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Systemtic Name: 3-[(5Z)-4-oxidanylidene-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: 3-[(5Z)-4-oxo-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[(5Z)-4-oxo-5-[[1-phenyl-3-(3-propoxyphenyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]propanoate IUPAC Name: 3-[(5Z)-4-oxo-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[(5Z)-4-keto-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]propionate Formula: C25H22N3O4S2- MolecularWeight: 492.58988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4S2/c1-2-13-32-20-10-6-7-17(14-20)23-18(16-28(26-23)19-8-4-3-5-9-19)15-21-24(31)27(25(33)34-21)12-11-22(29)30/h3-10,14-16H,2,11-13H2,1H3,(H,29,30)/p-1/b21-15-