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

Systemtic Name: (2R)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-propan-1-one Openeye Name: (2R)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)propan-1-one CAS Name: (2R)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-propanone IUPAC Name: (2R)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylpropan-1-one Traditional Name: (2R)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-propan-1-one Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SC(C)C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)S[C@H](C)C(=O)N3CCCCC3

InChI

InChI=1S/C18H24N4OS/c1-13-9-5-6-10-15(13)16-19-20-18(21(16)3)24-14(2)17(23)22-11-7-4-8-12-22/h5-6,9-10,14H,4,7-8,11-12H2,1-3H3/t14-/m1/s1