[4-[5-(4-hexylcyclohexyl)-1,3,4-thiadiazol-2-yl]phenyl] 4-hexylcyclohexane-1-carboxylate

Systemtic Name: [4-[5-(4-hexylcyclohexyl)-1,3,4-thiadiazol-2-yl]phenyl] 4-hexylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-hexylcyclohexyl)-1,3,4-thiadiazol-2-yl]phenyl] 4-hexylcyclohexanecarboxylate CAS Name: 4-hexyl-1-cyclohexanecarboxylic acid [4-[5-(4-hexylcyclohexyl)-1,3,4-thiadiazol-2-yl]phenyl] ester IUPAC Name: [4-[5-(4-hexylcyclohexyl)-1,3,4-thiadiazol-2-yl]phenyl] 4-hexylcyclohexane-1-carboxylate Traditional Name: 4-hexylcyclohexanecarboxylic acid [4-[5-(4-hexylcyclohexyl)-1,3,4-thiadiazol-2-yl]phenyl] ester Formula: C33H50N2O2S MolecularWeight: 538.8273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCCC

Isomeric SMILES

CCCCCCC1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCCC

InChI

InChI=1S/C33H50N2O2S/c1-3-5-7-9-11-25-13-17-27(18-14-25)31-34-35-32(38-31)28-21-23-30(24-22-28)37-33(36)29-19-15-26(16-20-29)12-10-8-6-4-2/h21-27,29H,3-20H2,1-2H3