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

Systemtic Name: 1-(4-bromophenyl)-4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]butan-1-one Formula: C15H18BrN3OS2 MolecularWeight: 400.35692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrN3OS2/c1-2-9-17-14-18-19-15(22-14)21-10-3-4-13(20)11-5-7-12(16)8-6-11/h5-8H,2-4,9-10H2,1H3,(H,17,18)