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

Systemtic Name: 1-(4-bromophenyl)-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Openeye Name: 4-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Traditional Name: 4-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-bromophenyl)butan-1-one Formula: C15H16BrN3OS2 MolecularWeight: 398.34104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3OS2/c1-2-9-17-14-18-19-15(22-14)21-10-3-4-13(20)11-5-7-12(16)8-6-11/h2,5-8H,1,3-4,9-10H2,(H,17,18)