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

Systemtic Name: (2R)-1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2R)-1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C19H25N3OS MolecularWeight: 343.4863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SC(C)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=NN=C(N1C2CC2)S[C@H](C)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C19H25N3OS/c1-12(24-18-21-20-13(2)22(18)16-10-11-16)17(23)14-6-8-15(9-7-14)19(3,4)5/h6-9,12,16H,10-11H2,1-5H3/t12-/m1/s1