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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-propenenitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acrylonitrile Formula: C18H9F3N2O2S MolecularWeight: 374.33647

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C3=NC4=C(S3)C=CC(=C4)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C3=NC4=C(S3)C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C18H9F3N2O2S/c19-18(20,21)12-2-4-16-13(7-12)23-17(26-16)11(8-22)5-10-1-3-14-15(6-10)25-9-24-14/h1-7H,9H2