4-cyclopropyl-3-[(4R)-4-oxidanyl-4-phenyl-butyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-cyclopropyl-3-[(4R)-4-oxidanyl-4-phenyl-butyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[(4R)-4-hydroxy-4-phenyl-butyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[[(4R)-4-hydroxy-4-phenylbutyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[(4R)-4-hydroxy-4-phenylbutyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[[(4R)-4-hydroxy-4-phenyl-butyl]thio]-1H-1,2,4-triazol-5-one Formula: C15H19N3O2S MolecularWeight: 305.39526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCCCC(C3=CC=CC=C3)O

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCCC[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C15H19N3O2S/c19-13(11-5-2-1-3-6-11)7-4-10-21-15-17-16-14(20)18(15)12-8-9-12/h1-3,5-6,12-13,19H,4,7-10H2,(H,16,20)/t13-/m1/s1