1-[2-[2-oxidanylidene-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-1-yl]ethyl]piperidine-4-carbonitrile

Systemtic Name: 1-[2-[2-oxidanylidene-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-1-yl]ethyl]piperidine-4-carbonitrile Openeye Name: 1-[2-[2-oxo-4-[1-(3-thienyl)benzimidazol-5-yl]pyrimidin-1-yl]ethyl]piperidine-4-carbonitrile CAS Name: 1-[2-[2-oxo-4-[1-(3-thiophenyl)-5-benzimidazolyl]-1-pyrimidinyl]ethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-[2-oxo-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-1-yl]ethyl]piperidine-4-carbonitrile Traditional Name: 1-[2-[2-keto-4-[1-(3-thienyl)benzimidazol-5-yl]pyrimidin-1-yl]ethyl]isonipecotonitrile Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C#N)CCN2C=CC(=NC2=O)C3=CC4=C(C=C3)N(C=N4)C5=CSC=C5

Isomeric SMILES

C1CN(CCC1C#N)CCN2C=CC(=NC2=O)C3=CC4=C(C=C3)N(C=N4)C5=CSC=C5

InChI

InChI=1S/C23H22N6OS/c24-14-17-3-7-27(8-4-17)10-11-28-9-5-20(26-23(28)30)18-1-2-22-21(13-18)25-16-29(22)19-6-12-31-15-19/h1-2,5-6,9,12-13,15-17H,3-4,7-8,10-11H2