1-(4-bromophenyl)-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]butan-1-one Formula: C13H14BrN3OS2 MolecularWeight: 372.30376

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)SCCCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CNC1=NN=C(S1)SCCCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H14BrN3OS2/c1-15-12-16-17-13(20-12)19-8-2-3-11(18)9-4-6-10(14)7-5-9/h4-7H,2-3,8H2,1H3,(H,15,16)