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

Systemtic Name: 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridyl)acetamide CAS Name: 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylacetamide Traditional Name: 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-pyridyl)acetamide Formula: C21H16N6O3S MolecularWeight: 432.45514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CN=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CN=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O3S/c28-19(23-16-7-5-11-22-13-16)14-31-21-25-24-20(26(21)17-8-2-1-3-9-17)15-6-4-10-18(12-15)27(29)30/h1-13H,14H2,(H,23,28)