[4-[4-(5-octyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-but-2-enoate

Systemtic Name: [4-[4-(5-octyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-but-2-enoate Openeye Name: [4-[4-(5-octyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [4-[4-(5-octyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-octyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [4-[4-(5-octyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] ester Formula: C26H30N2O2S MolecularWeight: 434.5936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C=CC

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)/C=C/C

InChI

InChI=1S/C26H30N2O2S/c1-3-5-6-7-8-9-11-24-27-28-26(31-24)22-14-12-20(13-15-22)21-16-18-23(19-17-21)30-25(29)10-4-2/h4,10,12-19H,3,5-9,11H2,1-2H3/b10-4+