(5Z)-3-octyl-5-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5Z)-3-octyl-5-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-octyl-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-3-octyl-5-[[1-phenyl-3-(4-prop-2-enoxyphenyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-3-octyl-5-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-octyl-2-thioxo-thiazolidin-4-one Formula: C30H33N3O2S2 MolecularWeight: 531.73192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC=C)C4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCCCCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)OCC=C)C4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C30H33N3O2S2/c1-3-5-6-7-8-12-19-32-29(34)27(37-30(32)36)21-24-22-33(25-13-10-9-11-14-25)31-28(24)23-15-17-26(18-16-23)35-20-4-2/h4,9-11,13-18,21-22H,2-3,5-8,12,19-20H2,1H3/b27-21-