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

Systemtic Name: 1-(4-bromophenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-bromophenyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-bromophenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-bromophenyl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C16H14BrN3OS2 MolecularWeight: 408.33586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C16H14BrN3OS2/c1-10(15(21)11-4-6-12(17)7-5-11)23-16-18-14(19-20-16)9-13-3-2-8-22-13/h2-8,10H,9H2,1H3,(H,18,19,20)