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

Systemtic Name: 3-(3-iodanylphenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(3-iodophenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile CAS Name: 3-(3-iodophenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-propenenitrile IUPAC Name: 3-(3-iodophenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(3-iodophenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acrylonitrile Formula: C17H8F3IN2S MolecularWeight: 456.2235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H8F3IN2S/c18-17(19,20)12-4-5-15-14(8-12)23-16(24-15)11(9-22)6-10-2-1-3-13(21)7-10/h1-8H