5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-piperidin-1-ylethyl)pentanamide

Systemtic Name: 5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-piperidin-1-ylethyl)pentanamide Openeye Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1-piperidyl)ethyl]pentanamide CAS Name: 5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-[2-(1-piperidinyl)ethyl]pentanamide IUPAC Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-piperidin-1-ylethyl)pentanamide Traditional Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-piperidinoethyl)valeramide Formula: C27H35N5OS MolecularWeight: 477.6647

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCNC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N5OS/c33-26(28-17-20-31-18-9-3-10-19-31)16-8-11-21-34-27-30-29-25(22-23-12-4-1-5-13-23)32(27)24-14-6-2-7-15-24/h1-2,4-7,12-15H,3,8-11,16-22H2,(H,28,33)