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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SCC(=O)NC3=CC=CC=[NH+]3

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCC(=O)NC3=CC=CC=[NH+]3

InChI

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