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

Systemtic Name: 1-(4-bromophenyl)-4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]butan-1-one Formula: C17H16BrN3O2S2 MolecularWeight: 438.36184

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NN=C(S2)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=COC(=C1)CNC2=NN=C(S2)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3O2S2/c18-13-7-5-12(6-8-13)15(22)4-2-10-24-17-21-20-16(25-17)19-11-14-3-1-9-23-14/h1,3,5-9H,2,4,10-11H2,(H,19,20)