2-[2-(4-ethanoylpiperazin-1-yl)carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-(4-ethanoylpiperazin-1-yl)carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-(4-acetylpiperazine-1-carbonyl)phenyl]thio]benzonitrile Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C20H19N3O2S/c1-15(24)22-10-12-23(13-11-22)20(25)17-7-3-5-9-19(17)26-18-8-4-2-6-16(18)14-21/h2-9H,10-13H2,1H3