2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C22H19N5OS/c23-16-17-6-1-3-8-19(17)29-20-9-4-2-7-18(20)21(28)26-12-14-27(15-13-26)22-24-10-5-11-25-22/h1-11H,12-15H2