4,5,6-trimethyl-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-2-[(5-morpholinosulfonyl-2-pyridyl)thio]nicotinonitrile Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C18H20N4O3S2/c1-12-13(2)16(10-19)18(21-14(12)3)26-17-5-4-15(11-20-17)27(23,24)22-6-8-25-9-7-22/h4-5,11H,6-9H2,1-3H3