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

Systemtic Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-fluoro-benzonitrile Formula: C17H14FN3S MolecularWeight: 311.376563

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)C#N)F)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC1=C(C=CC(=C1)C#N)F)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H14FN3S/c1-21(10-13-8-12(9-19)6-7-14(13)18)11-17-20-15-4-2-3-5-16(15)22-17/h2-8H,10-11H2,1H3