N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(p-tolylsulfanyl)butanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methylphenyl)thio]butanamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(p-tolylthio)butyramide Formula: C19H18BrN3OS2 MolecularWeight: 448.39972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)SC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)SC3=CC=C(C=C3)C

InChI

InChI=1S/C19H18BrN3OS2/c1-3-16(25-15-10-4-12(2)5-11-15)17(24)21-19-23-22-18(26-19)13-6-8-14(20)9-7-13/h4-11,16H,3H2,1-2H3,(H,21,23,24)