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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[2-(pyrazol-1-ylmethyl)benzyl]acetamide Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CSC2=NC3=CC=CC=C3S2)CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CSC2=NC3=CC=CC=C3S2)CN4C=CC=N4

InChI

InChI=1S/C20H18N4OS2/c25-19(14-26-20-23-17-8-3-4-9-18(17)27-20)21-12-15-6-1-2-7-16(15)13-24-11-5-10-22-24/h1-11H,12-14H2,(H,21,25)