N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-pyrrolidin-1-yl-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-[5-chloro-2-(1-pyrrolidinyl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-pyrrolidino-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C20H21ClN5OS+ MolecularWeight: 414.93164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=[N+](NC=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=[N+](NC=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H20ClN5OS/c21-15-8-9-18(25-10-4-5-11-25)17(12-15)24-19(27)13-28-20-22-14-23-26(20)16-6-2-1-3-7-16/h1-3,6-9,12,14H,4-5,10-11,13H2,(H,24,27)/p+1