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

Systemtic Name: 1-(4-bromophenyl)-4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]butan-1-one Formula: C16H20BrN3OS2 MolecularWeight: 414.3835

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCCCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCNC1=NN=C(S1)SCCCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H20BrN3OS2/c1-2-3-10-18-15-19-20-16(23-15)22-11-4-5-14(21)12-6-8-13(17)9-7-12/h6-9H,2-5,10-11H2,1H3,(H,18,19)