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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3OS2/c1-2-16-13-17-18-14(21-13)20-9-3-4-12(19)10-5-7-11(15)8-6-10/h5-8H,2-4,9H2,1H3,(H,16,17)