N-(4-fluoranyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)propanamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)propanamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)propanamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-[2-(1-pyrazolyl)ethyl]propanamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)propanamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-(2-pyrazol-1-ylethyl)propionamide Formula: C21H19FN4OS2 MolecularWeight: 426.530163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)N(CCN2C=CC=N2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)N(CCN2C=CC=N2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H19FN4OS2/c22-17-8-4-9-18-20(17)24-21(29-18)26(14-13-25-12-5-11-23-25)19(27)10-15-28-16-6-2-1-3-7-16/h1-9,11-12H,10,13-15H2