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

Systemtic Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridin-2-ylethyl)pentanamide Openeye Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-pyridyl)ethyl]pentanamide CAS Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-(2-pyridinyl)ethyl]pentanamide IUPAC Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridin-2-ylethyl)pentanamide Traditional Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-(2-pyridyl)ethyl]valeramide Formula: C26H26N6O3S MolecularWeight: 502.58804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NCCC3=CC=CC=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NCCC3=CC=CC=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N6O3S/c33-24(28-18-16-21-8-4-6-17-27-21)11-5-7-19-36-26-30-29-25(31(26)22-9-2-1-3-10-22)20-12-14-23(15-13-20)32(34)35/h1-4,6,8-10,12-15,17H,5,7,11,16,18-19H2,(H,28,33)