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

Systemtic Name: 1-[2-[2-oxidanylidene-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-1-yl]ethyl]piperidine-4-carbonitrile Openeye Name: 1-[2-[2-oxo-5-[1-(3-thienyl)benzimidazol-5-yl]pyrimidin-1-yl]ethyl]piperidine-4-carbonitrile CAS Name: 1-[2-[2-oxo-5-[1-(3-thiophenyl)-5-benzimidazolyl]-1-pyrimidinyl]ethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-[2-oxo-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-1-yl]ethyl]piperidine-4-carbonitrile Traditional Name: 1-[2-[2-keto-5-[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=C(C=NC2=O)C3=CC4=C(C=C3)N(C=N4)C5=CSC=C5

Isomeric SMILES

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

InChI

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