5,6-dimethyl-3-oxidanylidene-2-[2-(phenylsulfonyl)ethyl]pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-3-oxidanylidene-2-[2-(phenylsulfonyl)ethyl]pyridazine-4-carbonitrile Openeye Name: 2-[2-(benzenesulfonyl)ethyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[2-(benzenesulfonyl)ethyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[2-(benzenesulfonyl)ethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-(2-besylethyl)-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CCS(=O)(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CCS(=O)(=O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C15H15N3O3S/c1-11-12(2)17-18(15(19)14(11)10-16)8-9-22(20,21)13-6-4-3-5-7-13/h3-7H,8-9H2,1-2H3