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

Systemtic Name: [4-[4-(5-pentyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-pent-2-enoate Openeye Name: [4-[4-(5-pentyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic 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)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [4-[4-(5-amyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] ester Formula: C24H26N2O2S MolecularWeight: 406.54044

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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=CCC

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O2S/c1-3-5-7-8-22-25-26-24(29-22)20-12-10-18(11-13-20)19-14-16-21(17-15-19)28-23(27)9-6-4-2/h6,9-17H,3-5,7-8H2,1-2H3/b9-6+