3-[[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]methyl]-4-fluoro-benzonitrile Formula: C18H16FN3S MolecularWeight: 325.403143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)CC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)CC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C18H16FN3S/c1-12(18-21-16-5-3-4-6-17(16)23-18)22(2)11-14-9-13(10-20)7-8-15(14)19/h3-9,12H,11H2,1-2H3