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

Systemtic Name: 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[2-(4-bromophenyl)sulfonylethylthio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-(2-brosylethylthio)-1,3,4-thiadiazol-2-yl]amine Formula: C13H14BrN3O2S3 MolecularWeight: 420.36816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCCS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C=CCNC1=NN=C(S1)SCCS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H14BrN3O2S3/c1-2-7-15-12-16-17-13(21-12)20-8-9-22(18,19)11-5-3-10(14)4-6-11/h2-6H,1,7-9H2,(H,15,16)