2-[2-chloranyl-4-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-en-2-yl]phenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-chloranyl-4-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-en-2-yl]phenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[4-[1-(4-acetylpiperazine-1-carbonyl)vinyl]-2-chloro-phenyl]sulfanylbenzonitrile CAS Name: 2-[[4-[3-(4-acetyl-1-piperazinyl)-3-oxoprop-1-en-2-yl]-2-chlorophenyl]thio]benzonitrile IUPAC Name: 2-[4-[3-(4-acetylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]-2-chlorophenyl]sulfanylbenzonitrile Traditional Name: 2-[[4-[1-(4-acetylpiperazine-1-carbonyl)vinyl]-2-chloro-phenyl]thio]benzonitrile Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3C#N)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3C#N)Cl

InChI

InChI=1S/C22H20ClN3O2S/c1-15(22(28)26-11-9-25(10-12-26)16(2)27)17-7-8-21(19(23)13-17)29-20-6-4-3-5-18(20)14-24/h3-8,13H,1,9-12H2,2H3