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

Systemtic Name: N-(2-adamantyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-adamantyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-(2-adamantyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(2-adamantyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(2-adamantyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=[N+](NC=N4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=[N+](NC=N4)C5=CC=CC=C5

InChI

InChI=1S/C20H24N4OS/c25-18(23-19-15-7-13-6-14(9-15)10-16(19)8-13)11-26-20-21-12-22-24(20)17-4-2-1-3-5-17/h1-5,12-16,19H,6-11H2,(H,23,25)/p+1