2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-6-fluorobenzonitrile IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-6-fluoro-benzonitrile Formula: C18H14FN3S MolecularWeight: 323.387263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=CC=C2)F)C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(N(C1)C2=C(C(=CC=C2)F)C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14FN3S/c19-13-5-3-7-15(12(13)11-20)22-10-4-8-16(22)18-21-14-6-1-2-9-17(14)23-18/h1-3,5-7,9,16H,4,8,10H2