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

Systemtic Name: [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-hex-3-enoate Openeye Name: [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-hex-3-enoate CAS Name: (E)-3-hexenoic acid [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-hex-3-enoate Traditional Name: (E)-hex-3-enoic acid [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] ester Formula: C23H24N2O2S MolecularWeight: 392.51386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CC=CCC

Isomeric SMILES

CCCC1=NN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C/C=C/CC

InChI

InChI=1S/C23H24N2O2S/c1-3-5-6-8-22(26)27-20-15-13-18(14-16-20)17-9-11-19(12-10-17)23-25-24-21(28-23)7-4-2/h5-6,9-16H,3-4,7-8H2,1-2H3/b6-5+