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

Systemtic Name: 1-(3-bromophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(3-bromophenyl)ethanone CAS Name: 1-(3-bromophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(3-bromophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(3-bromophenyl)ethanone Formula: C13H12BrN3OS2 MolecularWeight: 370.28788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN3OS2/c1-2-6-15-12-16-17-13(20-12)19-8-11(18)9-4-3-5-10(14)7-9/h2-5,7H,1,6,8H2,(H,15,16)