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

Systemtic Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-propan-1-one Openeye Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)propan-1-one CAS Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-propanone IUPAC Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylpropan-1-one Traditional Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-piperidino-propan-1-one Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)SC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)SC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H30N4OS/c1-15(19(26)25-13-7-6-8-14-25)27-20-23-22-18(24(20)5)16-9-11-17(12-10-16)21(2,3)4/h9-12,15H,6-8,13-14H2,1-5H3/t15-/m1/s1