ethanoic acid; (5Z)-5-[[1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: ethanoic acid; (5Z)-5-[[1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: acetic acid; (5Z)-3-allyl-5-[[1-phenyl-3-[4-(1-piperidylsulfonyl)phenyl]pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: acetic acid; (5Z)-5-[[1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: acetic acid; (5Z)-5-[[1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: acetic acid; (5Z)-3-allyl-5-[[1-phenyl-3-(4-piperidinosulfonylphenyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C29H30N4O5S3 MolecularWeight: 610.7673

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C=CCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)SC1=S

Isomeric SMILES

CC(=O)O.C=CCN1C(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)/SC1=S

InChI

InChI=1S/C27H26N4O3S3.C2H4O2/c1-2-15-30-26(32)24(36-27(30)35)18-21-19-31(22-9-5-3-6-10-22)28-25(21)20-11-13-23(14-12-20)37(33,34)29-16-7-4-8-17-29;1-2(3)4/h2-3,5-6,9-14,18-19H,1,4,7-8,15-17H2;1H3,(H,3,4)/b24-18-;