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

Systemtic Name: 5-[[3-(1,3-benzothiazol-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[3-(1,3-benzothiazol-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-3-heptyl-2-thioxo-thiazolidin-4-one CAS Name: 5-[[3-(1,3-benzothiazol-2-yl)-1-phenyl-4-pyrazolyl]methylidene]-3-heptyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[3-(1,3-benzothiazol-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[3-(1,3-benzothiazol-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-3-heptyl-2-thioxo-thiazolidin-4-one Formula: C27H26N4OS3 MolecularWeight: 518.71654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)SC1=S

Isomeric SMILES

CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)SC1=S

InChI

InChI=1S/C27H26N4OS3/c1-2-3-4-5-11-16-30-26(32)23(35-27(30)33)17-19-18-31(20-12-7-6-8-13-20)29-24(19)25-28-21-14-9-10-15-22(21)34-25/h6-10,12-15,17-18H,2-5,11,16H2,1H3