1-(5-bromanylthiophen-2-yl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-bromo-2-thienyl)ethanone CAS Name: 1-(5-bromo-2-thiophenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-bromothiophen-2-yl)ethanone Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(5-bromo-2-thienyl)ethanone Formula: C16H14BrN3OS2 MolecularWeight: 408.33586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)C3=CC=C(S3)Br

InChI

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