5,6-dimethyl-3-[[4-(methylsulfonylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-3-[[4-(methylsulfonylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-3-[[4-(methylsulfonylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-3-[[4-(methylsulfonylmethyl)phenyl]methylamino]-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-3-[[4-(methylsulfonylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile Traditional Name: 3-[[4-(mesylmethyl)benzyl]amino]-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN=C1C)NCC2=CC=C(C=C2)CS(=O)(=O)C)C#N

Isomeric SMILES

CC1=C(C(=NN=C1C)NCC2=CC=C(C=C2)CS(=O)(=O)C)C#N

InChI

InChI=1S/C16H18N4O2S/c1-11-12(2)19-20-16(15(11)8-17)18-9-13-4-6-14(7-5-13)10-23(3,21)22/h4-7H,9-10H2,1-3H3,(H,18,20)