3-(3-bromophenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile

Systemtic Name: 3-(3-bromophenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(3-bromophenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile CAS Name: 3-(3-bromophenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-propenenitrile IUPAC Name: 3-(3-bromophenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(3-bromophenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acrylonitrile Formula: C17H8BrF3N2S MolecularWeight: 409.22303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)Br)C=C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H8BrF3N2S/c18-13-3-1-2-10(7-13)6-11(9-22)16-23-14-8-12(17(19,20)21)4-5-15(14)24-16/h1-8H