2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-6-fluoro-benzonitrile Formula: C19H17FN4S MolecularWeight: 352.428483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C4=C(C(=CC=C4)F)C#N

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C4=C(C(=CC=C4)F)C#N

InChI

InChI=1S/C19H17FN4S/c20-15-4-3-6-17(14(15)12-21)24-10-8-23(9-11-24)13-19-22-16-5-1-2-7-18(16)25-19/h1-7H,8-11,13H2