(5Z)-5-[[3-(3-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5Z)-5-[[3-(3-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(3-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-phenethyl-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-5-[[3-(3-butoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-phenethyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-[[3-(3-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[[3-(3-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-phenethyl-2-thioxo-thiazolidin-4-one Formula: C31H29N3O2S2 MolecularWeight: 539.71086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H29N3O2S2/c1-2-3-19-36-27-16-10-13-24(20-27)29-25(22-34(32-29)26-14-8-5-9-15-26)21-28-30(35)33(31(37)38-28)18-17-23-11-6-4-7-12-23/h4-16,20-22H,2-3,17-19H2,1H3/b28-21-