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

Systemtic Name: 1-(4-bromophenyl)-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]butan-1-one Formula: C18H18BrN3OS3 MolecularWeight: 468.45402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC2=NN=C(S2)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CSC(=C1)CCNC2=NN=C(S2)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3OS3/c19-14-7-5-13(6-8-14)16(23)4-2-12-25-18-22-21-17(26-18)20-10-9-15-3-1-11-24-15/h1,3,5-8,11H,2,4,9-10,12H2,(H,20,21)