4-[4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[2-oxo-2-(2-thienyl)ethyl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-(2-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[4-(2-oxo-2-thiophen-2-ylethyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[2-keto-2-(2-thienyl)ethyl]piperazine-1-carbonyl]benzonitrile Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC=CS2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC=CS2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H17N3O2S/c19-12-14-3-5-15(6-4-14)18(23)21-9-7-20(8-10-21)13-16(22)17-2-1-11-24-17/h1-6,11H,7-10,13H2