2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-phenethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H25N5OS/c28-20(26-13-5-2-6-14-26)17-29-22-25-24-21(19-10-7-12-23-16-19)27(22)15-11-18-8-3-1-4-9-18/h1,3-4,7-10,12,16H,2,5-6,11,13-15,17H2