3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[2-(pyrazol-1-ylmethyl)benzyl]propionamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCSC2=NC3=CC=CC=C3S2)CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCSC2=NC3=CC=CC=C3S2)CN4C=CC=N4

InChI

InChI=1S/C21H20N4OS2/c26-20(10-13-27-21-24-18-8-3-4-9-19(18)28-21)22-14-16-6-1-2-7-17(16)15-25-12-5-11-23-25/h1-9,11-12H,10,13-15H2,(H,22,26)