(2R)-1-(4-tert-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2R)-1-(4-tert-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(4-tert-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2R)-1-(4-tert-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(4-tert-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(4-tert-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS/c1-14(18(25)15-10-12-17(13-11-15)21(2,3)4)26-20-22-19(23-24-20)16-8-6-5-7-9-16/h5-14H,1-4H3,(H,22,23,24)/t14-/m1/s1