2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazino]methyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C18H20FN5O3S MolecularWeight: 405.446503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C18H20FN5O3S/c1-13-14(2)21-24(18(25)17(13)11-20)12-22-7-9-23(10-8-22)28(26,27)16-5-3-15(19)4-6-16/h3-6H,7-10,12H2,1-2H3