(5Z)-3-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5Z)-3-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-(1,1-dioxothiolan-3-yl)-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-5-[[3-(4-butoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-(1,1-dioxo-3-thiolanyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-(1,1-diketothiolan-3-yl)-2-thioxo-thiazolidin-4-one Formula: C28H29N3O4S3 MolecularWeight: 567.74256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)C5=CC=CC=C5)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H29N3O4S3/c1-3-4-13-35-24-11-10-20(15-19(24)2)26-21(17-30(29-26)22-8-6-5-7-9-22)16-25-27(32)31(28(36)37-25)23-12-14-38(33,34)18-23/h5-11,15-17,23H,3-4,12-14,18H2,1-2H3/b25-16-