3-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzonitrile CAS Name: 3-[[2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzonitrile Traditional Name: 3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzonitrile Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H17N3OS/c21-13-14-6-5-7-15(12-14)20(24)23-11-4-3-9-17(23)19-22-16-8-1-2-10-18(16)25-19/h1-2,5-8,10,12,17H,3-4,9,11H2