2-[[4-azanyl-5-[(3-bromanylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-azanyl-5-[(3-bromanylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C15H18BrN5O2S MolecularWeight: 412.30472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(N2N)COC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(N2N)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C15H18BrN5O2S/c16-11-4-3-5-12(8-11)23-9-13-18-19-15(21(13)17)24-10-14(22)20-6-1-2-7-20/h3-5,8H,1-2,6-7,9-10,17H2