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

Systemtic Name: 2-[(5Z)-5-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5Z)-4-oxo-5-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5Z)-5-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5Z)-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5Z)-4-keto-5-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C22H18N3O4S3- MolecularWeight: 484.59102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCS(=O)(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCS(=O)(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O4S3/c1-15-7-9-16(10-8-15)20-17(14-25(23-20)18-5-3-2-4-6-18)13-19-21(26)24(22(30)31-19)11-12-32(27,28)29/h2-10,13-14H,11-12H2,1H3,(H,27,28,29)/p-1/b19-13-