[4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] 4-propylcyclohexane-1-carboxylate

Systemtic Name: [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C28H42N2O2S MolecularWeight: 470.71028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCC

Isomeric SMILES

CCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCC

InChI

InChI=1S/C28H42N2O2S/c1-3-5-6-7-8-9-10-11-13-26-29-30-27(33-26)23-18-20-25(21-19-23)32-28(31)24-16-14-22(12-4-2)15-17-24/h18-22,24H,3-17H2,1-2H3