[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] 4-cyano-4-heptyl-cyclohexane-1-carboxylate

Systemtic Name: [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] 4-cyano-4-heptyl-cyclohexane-1-carboxylate Openeye Name: [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] 4-cyano-4-heptyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-heptyl-1-cyclohexanecarboxylic acid [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] 4-cyano-4-heptylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-heptyl-cyclohexanecarboxylic acid [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C30H43N3O2S MolecularWeight: 509.74632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)(CCCCCCC)C#N

InChI

InChI=1S/C30H43N3O2S/c1-3-5-7-9-11-13-27-32-33-28(36-27)24-14-16-26(17-15-24)35-29(34)25-18-21-30(23-31,22-19-25)20-12-10-8-6-4-2/h14-17,25H,3-13,18-22H2,1-2H3