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

Systemtic Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridylmethyl)butanamide CAS Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-pyridylmethyl)butyramide Formula: C24H22N6O3S MolecularWeight: 474.53488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NCC3=CN=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NCC3=CN=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O3S/c31-22(26-17-18-6-4-14-25-16-18)9-5-15-34-24-28-27-23(29(24)20-7-2-1-3-8-20)19-10-12-21(13-11-19)30(32)33/h1-4,6-8,10-14,16H,5,9,15,17H2,(H,26,31)