(2R)-1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one

Systemtic Name: (2R)-1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Openeye Name: (2R)-1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one CAS Name: (2R)-1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)-1-propanone IUPAC Name: (2R)-1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Traditional Name: (2R)-1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)propan-1-one Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NC=NN2

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NC=NN2

InChI

InChI=1S/C15H19N3OS/c1-10(20-14-16-9-17-18-14)13(19)11-5-7-12(8-6-11)15(2,3)4/h5-10H,1-4H3,(H,16,17,18)/t10-/m1/s1