5,6-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)methyl]-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)methyl]-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-2-[(3-morpholinosulfonylphenyl)methyl]-3-oxo-pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-2-[[3-(4-morpholinylsulfonyl)phenyl]methyl]-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)methyl]-3-oxopyridazine-4-carbonitrile Traditional Name: 3-keto-5,6-dimethyl-2-(3-morpholinosulfonylbenzyl)pyridazine-4-carbonitrile Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C#N

InChI

InChI=1S/C18H20N4O4S/c1-13-14(2)20-22(18(23)17(13)11-19)12-15-4-3-5-16(10-15)27(24,25)21-6-8-26-9-7-21/h3-5,10H,6-9,12H2,1-2H3