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

Systemtic Name: 4-[(5Z)-5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5Z)-5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5Z)-5-[[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5Z)-5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5Z)-4-keto-5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]butyrate Formula: C23H17N4O5S2- MolecularWeight: 493.53488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C=C4C(=O)N(C(=S)S4)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])/C=C\4/C(=O)N(C(=S)S4)CCCC(=O)[O-]

InChI

InChI=1S/C23H18N4O5S2/c28-20(29)10-5-11-25-22(30)19(34-23(25)33)13-16-14-26(17-7-2-1-3-8-17)24-21(16)15-6-4-9-18(12-15)27(31)32/h1-4,6-9,12-14H,5,10-11H2,(H,28,29)/p-1/b19-13-