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

Systemtic Name: 3-pyridin-3-yl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(3-pyridyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile CAS Name: 3-(3-pyridinyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-propenenitrile IUPAC Name: 3-pyridin-3-yl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(3-pyridyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acrylonitrile Formula: C16H8F3N3S MolecularWeight: 331.31503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H8F3N3S/c17-16(18,19)12-3-4-14-13(7-12)22-15(23-14)11(8-20)6-10-2-1-5-21-9-10/h1-7,9H