5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[2-(4-bromophenyl)sulfonylethylthio]-N-propyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-(2-brosylethylthio)-1,3,4-thiadiazol-2-yl]-propyl-amine Formula: C13H16BrN3O2S3 MolecularWeight: 422.38404

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN=C(S1)SCCS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCNC1=NN=C(S1)SCCS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H16BrN3O2S3/c1-2-7-15-12-16-17-13(21-12)20-8-9-22(18,19)11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3,(H,15,16)