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

Systemtic Name: 1-(4-bromophenyl)-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C16H14BrN3OS2 MolecularWeight: 408.33586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=NN2)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CSC(=C1)C2=NC(=NN2)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN3OS2/c17-12-7-5-11(6-8-12)13(21)3-1-10-23-16-18-15(19-20-16)14-4-2-9-22-14/h2,4-9H,1,3,10H2,(H,18,19,20)