4,6-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[(3-morpholinosulfonylphenyl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-[(3-morpholinosulfonylbenzyl)thio]nicotinonitrile Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C19H21N3O3S2/c1-14-10-15(2)21-19(18(14)12-20)26-13-16-4-3-5-17(11-16)27(23,24)22-6-8-25-9-7-22/h3-5,10-11H,6-9,13H2,1-2H3