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

Systemtic Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-pyridylmethyl)acetamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CN=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CN=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O3S/c29-20(24-14-16-5-4-12-23-13-16)15-32-22-26-25-21(27(22)18-6-2-1-3-7-18)17-8-10-19(11-9-17)28(30)31/h1-13H,14-15H2,(H,24,29)