4-[[4,5-dimethyl-3-oxidanylidene-6-(2,4,6-trimethylphenyl)sulfonyl-pyrazin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4,5-dimethyl-3-oxidanylidene-6-(2,4,6-trimethylphenyl)sulfonyl-pyrazin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4,5-dimethyl-3-oxo-6-(2,4,6-trimethylphenyl)sulfonyl-pyrazin-2-yl]amino]benzonitrile CAS Name: 4-[[4,5-dimethyl-3-oxo-6-(2,4,6-trimethylphenyl)sulfonyl-2-pyrazinyl]amino]benzonitrile IUPAC Name: 4-[[4,5-dimethyl-3-oxo-6-(2,4,6-trimethylphenyl)sulfonylpyrazin-2-yl]amino]benzonitrile Traditional Name: 4-[(3-keto-6-mesitylsulfonyl-4,5-dimethyl-pyrazin-2-yl)amino]benzonitrile Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=C(N(C(=O)C(=N2)NC3=CC=C(C=C3)C#N)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=C(N(C(=O)C(=N2)NC3=CC=C(C=C3)C#N)C)C)C

InChI

InChI=1S/C22H22N4O3S/c1-13-10-14(2)19(15(3)11-13)30(28,29)21-16(4)26(5)22(27)20(25-21)24-18-8-6-17(12-23)7-9-18/h6-11H,1-5H3,(H,24,25)