4-[[(2R)-oxolan-2-yl]methyl]-3-phenacylsulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-[[(2R)-oxolan-2-yl]methyl]-3-phenacylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-phenacylsulfanyl-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazol-5-one CAS Name: 4-[[(2R)-2-oxolanyl]methyl]-3-(phenacylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-[[(2R)-oxolan-2-yl]methyl]-3-phenacylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(phenacylthio)-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazol-5-one Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)NN=C2SCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](OC1)CN2C(=O)NN=C2SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H17N3O3S/c19-13(11-5-2-1-3-6-11)10-22-15-17-16-14(20)18(15)9-12-7-4-8-21-12/h1-3,5-6,12H,4,7-10H2,(H,16,20)/t12-/m1/s1