3-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SC4CCCCNC4=O

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SC4CCCCNC4=O

InChI

InChI=1S/C20H27N5OS/c26-19-17(11-5-6-12-21-19)27-20-23-22-18(15-24-13-7-2-8-14-24)25(20)16-9-3-1-4-10-16/h1,3-4,9-10,17H,2,5-8,11-15H2,(H,21,26)