2-oxidanylidene-1-(pyridin-3-ylmethyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)thieno[3,4-b]pyridine-3-carbonitrile

Systemtic Name: 2-oxidanylidene-1-(pyridin-3-ylmethyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)thieno[3,4-b]pyridine-3-carbonitrile Openeye Name: 2-oxo-1-(3-pyridylmethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,4-b]pyridine-3-carbonitrile CAS Name: 2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-(3-pyridinylmethyl)-3-thieno[3,4-b]pyridinecarbonitrile IUPAC Name: 2-oxo-1-(pyridin-3-ylmethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,4-b]pyridine-3-carbonitrile Traditional Name: 2-keto-1-(3-pyridylmethyl)-4-[4-(2-thenoyl)piperazino]thieno[3,4-b]pyridine-3-carbonitrile Formula: C23H19N5O2S2 MolecularWeight: 461.55926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=CSC=C32)CC4=CN=CC=C4)C#N)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=CSC=C32)CC4=CN=CC=C4)C#N)C(=O)C5=CC=CS5

InChI

InChI=1S/C23H19N5O2S2/c24-11-17-21(26-6-8-27(9-7-26)23(30)20-4-2-10-32-20)18-14-31-15-19(18)28(22(17)29)13-16-3-1-5-25-12-16/h1-5,10,12,14-15H,6-9,13H2