(Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (Z)-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-tosyl-acrylonitrile Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=NC(=CC(=N2)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C\NC2=NC(=CC(=N2)C)C)/C#N

InChI

InChI=1S/C16H16N4O2S/c1-11-4-6-14(7-5-11)23(21,22)15(9-17)10-18-16-19-12(2)8-13(3)20-16/h4-8,10H,1-3H3,(H,18,19,20)/b15-10-