2-[4-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[3-(cyclohexylsulfanylmethyl)benzofuran-2-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[3-[(cyclohexylthio)methyl]-2-benzofuranyl]-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[3-[(cyclohexylthio)methyl]benzofuran-2-carbonyl]piperazino]isonicotinonitrile Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=NC=CC(=C5)C#N

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C26H28N4O2S/c27-17-19-10-11-28-24(16-19)29-12-14-30(15-13-29)26(31)25-22(18-33-20-6-2-1-3-7-20)21-8-4-5-9-23(21)32-25/h4-5,8-11,16,20H,1-3,6-7,12-15,18H2