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

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-morpholinophenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-[4-(4-morpholinyl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(4-morpholinophenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C20H22N5O2S+ MolecularWeight: 396.48598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c26-19(14-28-20-21-15-22-25(20)18-4-2-1-3-5-18)23-16-6-8-17(9-7-16)24-10-12-27-13-11-24/h1-9,15H,10-14H2,(H,23,26)/p+1