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

Systemtic Name: 2-phenyl-1-piperidin-1-yl-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-phenyl-1-(1-piperidyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-phenyl-1-(1-piperidinyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-phenyl-1-piperidin-1-yl-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-phenyl-1-piperidino-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)CC4=CC=CS4

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)CC4=CC=CS4

InChI

InChI=1S/C20H22N4OS2/c25-19(24-11-5-2-6-12-24)18(15-8-3-1-4-9-15)27-20-21-17(22-23-20)14-16-10-7-13-26-16/h1,3-4,7-10,13,18H,2,5-6,11-12,14H2,(H,21,22,23)