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

Systemtic Name: (2R)-1-(4-tert-butylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-tert-butylphenyl)propan-1-one CAS Name: (2R)-1-(4-tert-butylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(4-tert-butylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-tert-butylphenyl)propan-1-one Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3OS/c1-6-16-27-22(19-10-8-7-9-11-19)25-26-23(27)29-17(2)21(28)18-12-14-20(15-13-18)24(3,4)5/h6-15,17H,1,16H2,2-5H3/t17-/m1/s1