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

Systemtic Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-[4-(4-propanoylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide CAS Name: N-[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-[4-(4-propionylpiperazino)phenyl]acetamide Formula: C23H27N6O2S+ MolecularWeight: 451.56448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](NC=N3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](NC=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N6O2S/c1-2-22(31)28-14-12-27(13-15-28)19-10-8-18(9-11-19)26-21(30)16-32-23-24-17-25-29(23)20-6-4-3-5-7-20/h3-11,17H,2,12-16H2,1H3,(H,26,30)/p+1