2-(2-bromophenyl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-(2-bromophenyl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-(2-bromophenyl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-(2-bromophenyl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-(2-bromophenyl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-(2-bromophenyl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole Formula: C22H25BrN2OS MolecularWeight: 445.4157

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=CC=C3Br

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=CC=C3Br

InChI

InChI=1S/C22H25BrN2OS/c1-2-3-4-5-6-9-16-26-18-14-12-17(13-15-18)21-24-25-22(27-21)19-10-7-8-11-20(19)23/h7-8,10-15H,2-6,9,16H2,1H3