2-nonyl-5-[4-(4-pentylcyclohexyl)-3-propoxy-phenyl]-1,3,4-thiadiazole

Systemtic Name: 2-nonyl-5-[4-(4-pentylcyclohexyl)-3-propoxy-phenyl]-1,3,4-thiadiazole Openeye Name: 2-nonyl-5-[4-(4-pentylcyclohexyl)-3-propoxy-phenyl]-1,3,4-thiadiazole CAS Name: 2-nonyl-5-[4-(4-pentylcyclohexyl)-3-propoxyphenyl]-1,3,4-thiadiazole IUPAC Name: 2-nonyl-5-[4-(4-pentylcyclohexyl)-3-propoxyphenyl]-1,3,4-thiadiazole Traditional Name: 2-[4-(4-amylcyclohexyl)-3-propoxy-phenyl]-5-nonyl-1,3,4-thiadiazole Formula: C31H50N2OS MolecularWeight: 498.8065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NN=C(S1)C2=CC(=C(C=C2)C3CCC(CC3)CCCCC)OCCC

Isomeric SMILES

CCCCCCCCCC1=NN=C(S1)C2=CC(=C(C=C2)C3CCC(CC3)CCCCC)OCCC

InChI

InChI=1S/C31H50N2OS/c1-4-7-9-10-11-12-14-16-30-32-33-31(35-30)27-21-22-28(29(24-27)34-23-6-3)26-19-17-25(18-20-26)15-13-8-5-2/h21-22,24-26H,4-20,23H2,1-3H3