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

Systemtic Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-(4-piperidinophenyl)acetamide Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](NC=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](NC=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c27-20(15-28-21-22-16-23-26(21)19-7-3-1-4-8-19)24-17-9-11-18(12-10-17)25-13-5-2-6-14-25/h1,3-4,7-12,16H,2,5-6,13-15H2,(H,24,27)/p+1