(E)-2-(1,3-benzothiazol-2-yl)-3-(3-bromanyl-4-fluoranyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-bromanyl-4-fluoranyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-fluoro-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-fluorophenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-fluorophenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-fluoro-phenyl)acrylonitrile Formula: C16H8BrFN2S MolecularWeight: 359.215523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=C(C=C3)F)Br)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC(=C(C=C3)F)Br)/C#N

InChI

InChI=1S/C16H8BrFN2S/c17-12-8-10(5-6-13(12)18)7-11(9-19)16-20-14-3-1-2-4-15(14)21-16/h1-8H/b11-7+