2-[4-[(5-piperidin-1-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(5-piperidin-1-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[5-(1-piperidylsulfonyl)-2-thioxo-1,3-benzoxazol-3-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[5-(1-piperidinylsulfonyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(5-piperidin-1-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(5-piperidinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazino]isonicotinonitrile Formula: C23H26N6O3S2 MolecularWeight: 498.62094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3CN4CCN(CC4)C5=NC=CC(=C5)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3CN4CCN(CC4)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C23H26N6O3S2/c24-16-18-6-7-25-22(14-18)27-12-10-26(11-13-27)17-29-20-15-19(4-5-21(20)32-23(29)33)34(30,31)28-8-2-1-3-9-28/h4-7,14-15H,1-3,8-13,17H2