2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-N-[3-(1-pyrazolylmethyl)phenyl]benzamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide Formula: C25H20N4OS2 MolecularWeight: 456.5825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3S2)C(=O)NC4=CC=CC(=C4)CN5C=CC=N5

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3S2)C(=O)NC4=CC=CC(=C4)CN5C=CC=N5

InChI

InChI=1S/C25H20N4OS2/c30-24(27-20-9-5-7-18(15-20)16-29-14-6-13-26-29)21-10-2-1-8-19(21)17-31-25-28-22-11-3-4-12-23(22)32-25/h1-15H,16-17H2,(H,27,30)