3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazole Formula: C21H23BrN4OS MolecularWeight: 459.40252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H23BrN4OS/c22-17-8-10-19(11-9-17)27-14-15-28-21-24-23-20(16-25-12-4-5-13-25)26(21)18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-16H2