2-(4-octylphenyl)-5-(4-pentoxyphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-(4-octylphenyl)-5-(4-pentoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-(4-octylphenyl)-5-(4-pentoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-(4-octylphenyl)-5-(4-pentoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-(4-octylphenyl)-5-(4-pentoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-(4-amoxyphenyl)-5-(4-octylphenyl)-1,3,4-thiadiazole Formula: C27H36N2OS MolecularWeight: 436.65254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OCCCCC

InChI

InChI=1S/C27H36N2OS/c1-3-5-7-8-9-10-12-22-13-15-23(16-14-22)26-28-29-27(31-26)24-17-19-25(20-18-24)30-21-11-6-4-2/h13-20H,3-12,21H2,1-2H3