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

Systemtic Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-piperidin-1-ylethyl)pentanamide Openeye Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(1-piperidyl)ethyl]pentanamide CAS Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-(1-piperidinyl)ethyl]pentanamide IUPAC Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-piperidin-1-ylethyl)pentanamide Traditional Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-piperidinoethyl)valeramide Formula: C26H32N6O3S MolecularWeight: 508.63568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCNC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H32N6O3S/c33-24(27-16-19-30-17-6-2-7-18-30)11-5-8-20-36-26-29-28-25(31(26)22-9-3-1-4-10-22)21-12-14-23(15-13-21)32(34)35/h1,3-4,9-10,12-15H,2,5-8,11,16-20H2,(H,27,33)