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

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

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2C)C3CC3

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2C)C3CC3

InChI

InChI=1S/C19H25N3OS/c1-12(24-18-21-20-17(22(18)5)14-6-7-14)16(23)13-8-10-15(11-9-13)19(2,3)4/h8-12,14H,6-7H2,1-5H3/t12-/m1/s1