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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C=CC

Isomeric SMILES

CCCCCC1=NN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)/C=C/C

InChI

InChI=1S/C23H24N2O2S/c1-3-5-6-8-21-24-25-23(28-21)19-11-9-17(10-12-19)18-13-15-20(16-14-18)27-22(26)7-4-2/h4,7,9-16H,3,5-6,8H2,1-2H3/b7-4+