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

Systemtic Name: 4-[[5-[(3-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]-2-butanone IUPAC Name: 4-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]butan-2-one Formula: C12H12BrN3OS2 MolecularWeight: 358.27718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(S1)NC2=CC(=CC=C2)Br

Isomeric SMILES

CC(=O)CCSC1=NN=C(S1)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C12H12BrN3OS2/c1-8(17)5-6-18-12-16-15-11(19-12)14-10-4-2-3-9(13)7-10/h2-4,7H,5-6H2,1H3,(H,14,15)