4-[[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thio]methyl]benzonitrile Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H19N5OS/c19-12-15-2-4-16(5-3-15)13-25-14-17(24)22-8-10-23(11-9-22)18-20-6-1-7-21-18/h1-7H,8-11,13-14H2