4,5,6-trimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[(3-morpholinosulfonylphenyl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-2-[(3-morpholinosulfonylbenzyl)thio]nicotinonitrile Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S2/c1-14-15(2)19(12-21)20(22-16(14)3)27-13-17-5-4-6-18(11-17)28(24,25)23-7-9-26-10-8-23/h4-6,11H,7-10,13H2,1-3H3