N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(1-pyrazolylmethyl)phenyl]benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C=CC=N3)C(=O)NCCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C=CC=N3)C(=O)NCCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H22N4OS/c31-26(27-16-14-25-29-23-8-3-4-9-24(23)32-25)22-7-2-1-6-21(22)20-12-10-19(11-13-20)18-30-17-5-15-28-30/h1-13,15,17H,14,16,18H2,(H,27,31)