N-(2-methyl-5-methylsulfonyl-phenyl)-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide

Systemtic Name: N-(2-methyl-5-methylsulfonyl-phenyl)-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide Openeye Name: N-(2-methyl-5-methylsulfonyl-phenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide CAS Name: N-(2-methyl-5-methylsulfonylphenyl)-6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxamide IUPAC Name: N-(2-methyl-5-methylsulfonylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide Traditional Name: 6-keto-N-(5-mesyl-2-methyl-phenyl)-1-(2-phenoxyethyl)pyridazine-3-carboxamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5S/c1-15-8-9-17(30(2,27)28)14-19(15)22-21(26)18-10-11-20(25)24(23-18)12-13-29-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,22,26)