2-[4-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-morpholinosulfonyl-2-pyridyl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(5-morpholinosulfonyl-2-pyridyl)thio]methyl]phenyl]benzonitrile Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H21N3O3S2/c24-15-20-3-1-2-4-22(20)19-7-5-18(6-8-19)17-30-23-10-9-21(16-25-23)31(27,28)26-11-13-29-14-12-26/h1-10,16H,11-14,17H2