4-[[2-[(4-cyanophenyl)methyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[[2-[(4-cyanophenyl)methyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[[2-[(4-cyanophenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethyl-benzonitrile CAS Name: 4-[[2-[(4-cyanophenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethylbenzonitrile IUPAC Name: 4-[[2-[(4-cyanophenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethylbenzonitrile Traditional Name: 4-[[2-(4-cyanobenzyl)-4-keto-5-methyl-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethyl-benzonitrile Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C2=C(C(=O)N=C(N2)CC3=CC=C(C=C3)C#N)C)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C2=C(C(=O)N=C(N2)CC3=CC=C(C=C3)C#N)C)C)C#N

InChI

InChI=1S/C22H18N4O3S/c1-13-8-18(12-24)9-14(2)20(13)30(28,29)22-15(3)21(27)25-19(26-22)10-16-4-6-17(11-23)7-5-16/h4-9H,10H2,1-3H3,(H,25,26,27)