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

Systemtic Name: 2-(4-bromophenyl)-5-tridecyl-1,3,4-thiadiazole Openeye Name: 2-(4-bromophenyl)-5-tridecyl-1,3,4-thiadiazole CAS Name: 2-(4-bromophenyl)-5-tridecyl-1,3,4-thiadiazole IUPAC Name: 2-(4-bromophenyl)-5-tridecyl-1,3,4-thiadiazole Traditional Name: 2-(4-bromophenyl)-5-tridecyl-1,3,4-thiadiazole Formula: C21H31BrN2S MolecularWeight: 423.45324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H31BrN2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-23-24-21(25-20)18-14-16-19(22)17-15-18/h14-17H,2-13H2,1H3