2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-2-phenyl-1-piperidino-ethanone Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)CCC4CCCC4

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)CCC4CCCC4

InChI

InChI=1S/C22H30N4OS/c27-21(26-15-7-2-8-16-26)20(18-11-3-1-4-12-18)28-22-23-19(24-25-22)14-13-17-9-5-6-10-17/h1,3-4,11-12,17,20H,2,5-10,13-16H2,(H,23,24,25)