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

Systemtic Name: 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C22H24N4OS2 MolecularWeight: 424.58216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS2/c27-21(25-14-8-3-9-15-25)17-29-22-24-23-20(16-28-19-12-6-2-7-13-19)26(22)18-10-4-1-5-11-18/h1-2,4-7,10-13H,3,8-9,14-17H2