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

Systemtic Name: N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-morpholino-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-[5-chloro-2-(4-morpholinyl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-morpholino-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C20H21ClN5O2S+ MolecularWeight: 430.93104

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)CSC3=[N+](NC=N3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)CSC3=[N+](NC=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H20ClN5O2S/c21-15-6-7-18(25-8-10-28-11-9-25)17(12-15)24-19(27)13-29-20-22-14-23-26(20)16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,24,27)/p+1