2-octyl-5-[4-(4-pentylphenyl)cyclohexyl]-1,3,4-thiadiazole

Systemtic Name: 2-octyl-5-[4-(4-pentylphenyl)cyclohexyl]-1,3,4-thiadiazole Openeye Name: 2-octyl-5-[4-(4-pentylphenyl)cyclohexyl]-1,3,4-thiadiazole CAS Name: 2-octyl-5-[4-(4-pentylphenyl)cyclohexyl]-1,3,4-thiadiazole IUPAC Name: 2-octyl-5-[4-(4-pentylphenyl)cyclohexyl]-1,3,4-thiadiazole Traditional Name: 2-[4-(4-amylphenyl)cyclohexyl]-5-octyl-1,3,4-thiadiazole Formula: C27H42N2S MolecularWeight: 426.70078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)C2CCC(CC2)C3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)C2CCC(CC2)C3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C27H42N2S/c1-3-5-7-8-9-11-13-26-28-29-27(30-26)25-20-18-24(19-21-25)23-16-14-22(15-17-23)12-10-6-4-2/h14-17,24-25H,3-13,18-21H2,1-2H3