3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C13H14BrN3O2S MolecularWeight: 356.23816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCCOC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C13H14BrN3O2S/c14-9-1-5-11(6-2-9)19-7-8-20-13-16-15-12(18)17(13)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,15,18)