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

Systemtic Name: 2-bromanyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-bromo-5-(4-octoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-bromo-5-(4-octoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-bromo-5-(4-octoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-bromo-5-(4-octoxyphenyl)-1,3,4-thiadiazole Formula: C16H21BrN2OS MolecularWeight: 369.31974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)Br

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)Br

InChI

InChI=1S/C16H21BrN2OS/c1-2-3-4-5-6-7-12-20-14-10-8-13(9-11-14)15-18-19-16(17)21-15/h8-11H,2-7,12H2,1H3