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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCCCC(=O)C3=CC=CS3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCCCC(=O)C3=CC=CS3)Br

InChI

InChI=1S/C16H14BrN3OS2/c17-12-6-2-1-5-11(12)15-18-16(20-19-15)23-10-3-7-13(21)14-8-4-9-22-14/h1-2,4-6,8-9H,3,7,10H2,(H,18,19,20)