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

Systemtic Name: 4-[(5Z)-5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5Z)-5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5Z)-5-[[3-(3-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5Z)-5-[[3-(3-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5Z)-4-keto-5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]butyrate Formula: C27H26N3O4S2- MolecularWeight: 520.64304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4S2/c1-3-14-34-22-12-11-19(15-18(22)2)25-20(17-30(28-25)21-8-5-4-6-9-21)16-23-26(33)29(27(35)36-23)13-7-10-24(31)32/h4-6,8-9,11-12,15-17H,3,7,10,13-14H2,1-2H3,(H,31,32)/p-1/b23-16-