(E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(2-benzyloxy-5-bromo-phenyl)-2-(4-methylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-(4-methyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(2-benzoxy-5-bromo-phenyl)-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C20H15BrN2OS MolecularWeight: 411.3149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)/C#N

InChI

InChI=1S/C20H15BrN2OS/c1-14-13-25-20(23-14)17(11-22)9-16-10-18(21)7-8-19(16)24-12-15-5-3-2-4-6-15/h2-10,13H,12H2,1H3/b17-9+