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

Systemtic Name: 1-(4-bromophenyl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C14H16BrN3OS2 MolecularWeight: 386.33034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3OS2/c1-2-3-8-16-13-17-18-14(21-13)20-9-12(19)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,16,17)