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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C=CC2=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/c1-16(27)25-10-12-26(13-11-25)22(28)9-7-17-6-8-21(19(23)14-17)29-20-5-3-2-4-18(20)15-24/h2-9,14H,10-13H2,1H3/b9-7+