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

Systemtic Name: (2R)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-propan-1-one Openeye Name: (2R)-1-(1-piperidyl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: (2R)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-propanone IUPAC Name: (2R)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylpropan-1-one Traditional Name: (2R)-1-piperidino-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)S[C@H](C)C(=O)N3CCCCC3

InChI

InChI=1S/C17H22N4OS/c1-12-6-8-14(9-7-12)15-18-17(20-19-15)23-13(2)16(22)21-10-4-3-5-11-21/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,19,20)/t13-/m1/s1