3-[(4-bromophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-bromophenyl)methylthio]-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-bromobenzyl)thio]-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-5-one Formula: C14H16BrN3O2S MolecularWeight: 370.26474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)NN=C2SCC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC(OC1)CN2C(=O)NN=C2SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C14H16BrN3O2S/c15-11-5-3-10(4-6-11)9-21-14-17-16-13(19)18(14)8-12-2-1-7-20-12/h3-6,12H,1-2,7-9H2,(H,16,19)