4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzonitrile Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)C#N

InChI

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