N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C15H12ClN5O2S MolecularWeight: 361.80608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)[O-]

InChI

InChI=1S/C15H12ClN5O2S/c16-11-4-5-13(20-10-17-9-18-20)12(7-11)19-14(22)8-24-15-3-1-2-6-21(15)23/h1-7,9-10H,8H2,(H,19,22)