2-phenyl-2-[4-[2-(1-propylimidazol-2-yl)sulfanylethanoyl]piperazin-1-yl]ethanenitrile

Systemtic Name: 2-phenyl-2-[4-[2-(1-propylimidazol-2-yl)sulfanylethanoyl]piperazin-1-yl]ethanenitrile Openeye Name: 2-phenyl-2-[4-[2-(1-propylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetonitrile CAS Name: 2-[4-[1-oxo-2-[(1-propyl-2-imidazolyl)thio]ethyl]-1-piperazinyl]-2-phenylacetonitrile IUPAC Name: 2-phenyl-2-[4-[2-(1-propylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetonitrile Traditional Name: 2-phenyl-2-[4-[2-[(1-propylimidazol-2-yl)thio]acetyl]piperazino]acetonitrile Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SCC(=O)N2CCN(CC2)C(C#N)C3=CC=CC=C3

Isomeric SMILES

CCCN1C=CN=C1SCC(=O)N2CCN(CC2)C(C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5OS/c1-2-9-25-10-8-22-20(25)27-16-19(26)24-13-11-23(12-14-24)18(15-21)17-6-4-3-5-7-17/h3-8,10,18H,2,9,11-14,16H2,1H3