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

Systemtic Name: (5Z)-5-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-heptyl-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-5-[[3-(4-butoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-heptyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-heptyl-2-thioxo-thiazolidin-4-one Formula: C30H35N3O2S2 MolecularWeight: 533.7478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCCCC)C4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCCCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)OCCCC)C4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C30H35N3O2S2/c1-3-5-7-8-12-19-32-29(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)35-20-6-4-2/h9-11,13-18,21-22H,3-8,12,19-20H2,1-2H3/b27-21-