5-methylsulfonyl-6-phenyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)pyridine-3-carbonitrile

Systemtic Name: 5-methylsulfonyl-6-phenyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)pyridine-3-carbonitrile Openeye Name: 5-methylsulfonyl-6-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 5-methylsulfonyl-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 5-methylsulfonyl-6-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 5-mesyl-6-phenyl-2-[4-(2-thenoyl)piperazino]nicotinonitrile Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S2/c1-31(28,29)19-14-17(15-23)21(24-20(19)16-6-3-2-4-7-16)25-9-11-26(12-10-25)22(27)18-8-5-13-30-18/h2-8,13-14H,9-12H2,1H3