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

Systemtic Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-4-ylmethyl)pentanamide Openeye Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyridylmethyl)pentanamide CAS Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(pyridin-4-ylmethyl)pentanamide IUPAC Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-4-ylmethyl)pentanamide Traditional Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-pyridylmethyl)valeramide Formula: C25H24N6O3S MolecularWeight: 488.56146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NCC3=CC=NC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NCC3=CC=NC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N6O3S/c32-23(27-18-19-13-15-26-16-14-19)8-4-5-17-35-25-29-28-24(30(25)21-6-2-1-3-7-21)20-9-11-22(12-10-20)31(33)34/h1-3,6-7,9-16H,4-5,8,17-18H2,(H,27,32)