5-(1,3-benzothiazol-2-yl)-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pentanamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pentanamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(4-pyridylmethyl)pyrazol-3-yl]pentanamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(pyridin-4-ylmethyl)-3-pyrazolyl]pentanamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pentanamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(4-pyridylmethyl)pyrazol-3-yl]valeramide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)NC3=CC=NN3CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)NC3=CC=NN3CC4=CC=NC=C4

InChI

InChI=1S/C21H21N5OS/c27-20(7-3-4-8-21-24-17-5-1-2-6-18(17)28-21)25-19-11-14-23-26(19)15-16-9-12-22-13-10-16/h1-2,5-6,9-14H,3-4,7-8,15H2,(H,25,27)