(E)-2-(1,3-benzothiazol-2-yl)-3-(2-fluoranyl-6-pyrrolidin-1-yl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-fluoranyl-6-pyrrolidin-1-yl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-fluoro-6-pyrrolidin-1-yl-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[2-fluoro-6-(1-pyrrolidinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-fluoro-6-pyrrolidin-1-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-fluoro-6-pyrrolidino-phenyl)acrylonitrile Formula: C20H16FN3S MolecularWeight: 349.424543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=CC=C2)F)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C2=C(C(=CC=C2)F)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H16FN3S/c21-16-6-5-8-18(24-10-3-4-11-24)15(16)12-14(13-22)20-23-17-7-1-2-9-19(17)25-20/h1-2,5-9,12H,3-4,10-11H2/b14-12+