[4-(5-decyl-1,3,4-thiadiazol-2-yl)-2-fluoranyl-phenyl] pentanoate

Systemtic Name: [4-(5-decyl-1,3,4-thiadiazol-2-yl)-2-fluoranyl-phenyl] pentanoate Openeye Name: [4-(5-decyl-1,3,4-thiadiazol-2-yl)-2-fluoro-phenyl] pentanoate CAS Name: pentanoic acid [4-(5-decyl-1,3,4-thiadiazol-2-yl)-2-fluorophenyl] ester IUPAC Name: [4-(5-decyl-1,3,4-thiadiazol-2-yl)-2-fluorophenyl] pentanoate Traditional Name: valeric acid [4-(5-decyl-1,3,4-thiadiazol-2-yl)-2-fluoro-phenyl] ester Formula: C23H33FN2O2S MolecularWeight: 420.583723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NN=C(S1)C2=CC(=C(C=C2)OC(=O)CCCC)F

Isomeric SMILES

CCCCCCCCCCC1=NN=C(S1)C2=CC(=C(C=C2)OC(=O)CCCC)F

InChI

InChI=1S/C23H33FN2O2S/c1-3-5-7-8-9-10-11-12-13-21-25-26-23(29-21)18-15-16-20(19(24)17-18)28-22(27)14-6-4-2/h15-17H,3-14H2,1-2H3