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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NN=C(S2)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CC1NC2=NN=C(S2)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H16BrN3OS2/c16-11-5-3-10(4-6-11)13(20)2-1-9-21-15-19-18-14(22-15)17-12-7-8-12/h3-6,12H,1-2,7-9H2,(H,17,18)