3-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(5-morpholinosulfonyl-2-pyridyl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]methyl]benzonitrile IUPAC Name: 3-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-morpholinosulfonyl-2-pyridyl)thio]methyl]benzonitrile Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S2/c18-11-14-2-1-3-15(10-14)13-24-17-5-4-16(12-19-17)25(21,22)20-6-8-23-9-7-20/h1-5,10,12H,6-9,13H2