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

Systemtic Name: [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-pent-2-enoate Openeye Name: [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic 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)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [4-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] ester Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2S/c1-3-5-7-21(25)26-19-14-12-17(13-15-19)16-8-10-18(11-9-16)22-24-23-20(27-22)6-4-2/h5,7-15H,3-4,6H2,1-2H3/b7-5+