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

Systemtic Name: (2R)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-propan-1-one Openeye Name: (2R)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)propan-1-one CAS Name: (2R)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-propanone IUPAC Name: (2R)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylpropan-1-one Traditional Name: (2R)-2-[[5-(4-ethylphenyl)-1H-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:

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)N3CCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)S[C@H](C)C(=O)N3CCCCC3

InChI

InChI=1S/C18H24N4OS/c1-3-14-7-9-15(10-8-14)16-19-18(21-20-16)24-13(2)17(23)22-11-5-4-6-12-22/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,20,21)/t13-/m1/s1