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

Systemtic Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-pyridin-4-yl-ethanamide Openeye Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(4-pyridyl)acetamide CAS Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-pyridin-4-ylacetamide IUPAC Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-pyridin-4-ylacetamide Traditional Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-(4-pyridyl)acetamide Formula: C15H14N5OS+ MolecularWeight: 312.36956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=CC=NC=C3

InChI

InChI=1S/C15H13N5OS/c21-14(19-12-6-8-16-9-7-12)10-22-15-17-11-18-20(15)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,16,19,21)/p+1