5,6-dimethyl-3-oxidanylidene-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-3-oxidanylidene-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]pyridazine-4-carbonitrile Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[2-(4-besylpiperazino)-2-keto-ethyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H21N5O4S/c1-14-15(2)21-24(19(26)17(14)12-20)13-18(25)22-8-10-23(11-9-22)29(27,28)16-6-4-3-5-7-16/h3-7H,8-11,13H2,1-2H3