(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-octoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-octoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(4-bromophenyl)thiazol-2-yl]-3-(4-octoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[4-(4-bromophenyl)-2-thiazolyl]-3-(4-octoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-octoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(4-bromophenyl)thiazol-2-yl]-3-(4-octoxyphenyl)acrylonitrile Formula: C26H27BrN2OS MolecularWeight: 495.47438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C26H27BrN2OS/c1-2-3-4-5-6-7-16-30-24-14-8-20(9-15-24)17-22(18-28)26-29-25(19-31-26)21-10-12-23(27)13-11-21/h8-15,17,19H,2-7,16H2,1H3/b22-17+