1-(4-bromophenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H21BrN4OS MolecularWeight: 457.38664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN4OS/c22-17-10-8-16(9-11-17)19(27)15-28-21-24-23-20(14-25-12-4-5-13-25)26(21)18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-15H2