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

Systemtic Name: N-(3-chloranyl-2-piperidin-1-yl-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-[3-chloro-2-(1-piperidyl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-[3-chloro-2-(1-piperidinyl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-2-piperidin-1-ylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-2-piperidino-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C21H23ClN5OS+ MolecularWeight: 428.95822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)CSC3=[N+](NC=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)CSC3=[N+](NC=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN5OS/c22-17-10-7-11-18(20(17)26-12-5-2-6-13-26)25-19(28)14-29-21-23-15-24-27(21)16-8-3-1-4-9-16/h1,3-4,7-11,15H,2,5-6,12-14H2,(H,25,28)/p+1