3-(4-methylsulfanylphenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile

Systemtic Name: 3-(4-methylsulfanylphenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(4-methylsulfanylphenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile CAS Name: 3-[4-(methylthio)phenyl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-propenenitrile IUPAC Name: 3-(4-methylsulfanylphenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile Traditional Name: 3-[4-(methylthio)phenyl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acrylonitrile Formula: C18H11F3N2S2 MolecularWeight: 376.41855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)C=C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H11F3N2S2/c1-24-14-5-2-11(3-6-14)8-12(10-22)17-23-15-9-13(18(19,20)21)4-7-16(15)25-17/h2-9H,1H3