2-ethanimidoyl-4-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-ethanimidoyl-4-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-4-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[(5-morpholinosulfonyl-2-pyridyl)thio]butyronitrile Formula: C15H18N4O4S2 MolecularWeight: 382.45782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C15H18N4O4S2/c1-11(17)13(8-16)14(20)10-24-15-3-2-12(9-18-15)25(21,22)19-4-6-23-7-5-19/h2-3,9,13,17H,4-7,10H2,1H3