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

Systemtic Name: 2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridyl)acetamide CAS Name: 2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylacetamide Traditional Name: 2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(3-pyridyl)acetamide Formula: C15H12N6O3S MolecularWeight: 356.35918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NN2)SCC(=O)NC3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NN2)SCC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C15H12N6O3S/c22-13(17-11-4-2-6-16-8-11)9-25-15-18-14(19-20-15)10-3-1-5-12(7-10)21(23)24/h1-8H,9H2,(H,17,22)(H,18,19,20)