2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[2-(pyrazol-1-ylmethyl)benzyl]acetamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CSCC2=NC3=CC=CC=C3S2)CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CSCC2=NC3=CC=CC=C3S2)CN4C=CC=N4

InChI

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