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

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5OS/c27-19(15-28-21-23-20(24-25-21)18-6-10-22-11-7-18)26-12-8-17(9-13-26)14-16-4-2-1-3-5-16/h1-7,10-11,17H,8-9,12-15H2,(H,23,24,25)