3-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzonitrile Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H16ClN3OS/c21-16-4-5-18-17(11-16)23-19(26-18)14-6-8-24(9-7-14)20(25)15-3-1-2-13(10-15)12-22/h1-5,10-11,14H,6-9H2