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

Systemtic Name: 2-[[4-azanyl-5-[(3-bromanylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C15H18BrN5O3S MolecularWeight: 428.30412

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NN=C(N2N)COC3=CC(=CC=C3)Br

Isomeric SMILES

C1COCCN1C(=O)CSC2=NN=C(N2N)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C15H18BrN5O3S/c16-11-2-1-3-12(8-11)24-9-13-18-19-15(21(13)17)25-10-14(22)20-4-6-23-7-5-20/h1-3,8H,4-7,9-10,17H2