[4-(5-butan-2-yl-1,3,4-thiadiazol-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [4-(5-butan-2-yl-1,3,4-thiadiazol-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-(5-sec-butyl-1,3,4-thiadiazol-2-yl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-(5-butan-2-yl-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-butan-2-yl-1,3,4-thiadiazol-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(5-sec-butyl-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C24H34N2O2S MolecularWeight: 414.60396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NN=C(S3)C(C)CC

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NN=C(S3)C(C)CC

InChI

InChI=1S/C24H34N2O2S/c1-4-6-7-8-18-9-11-20(12-10-18)24(27)28-21-15-13-19(14-16-21)23-26-25-22(29-23)17(3)5-2/h13-18,20H,4-12H2,1-3H3