5,6-dimethyl-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-3-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyridazine-4-carbonitrile Traditional Name: 5,6-dimethyl-3-[4-(3-nitrophenyl)sulfonylpiperazino]pyridazine-4-carbonitrile Formula: C17H18N6O4S MolecularWeight: 402.42762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN=C1C)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NN=C1C)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H18N6O4S/c1-12-13(2)19-20-17(16(12)11-18)21-6-8-22(9-7-21)28(26,27)15-5-3-4-14(10-15)23(24)25/h3-5,10H,6-9H2,1-2H3