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

Systemtic Name: 4-[[5-bromanyl-2-[(4-cyanophenyl)methyl]-4-oxidanylidene-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[[5-bromo-2-[(4-cyanophenyl)methyl]-4-oxo-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-[(4-cyanophenyl)methyl]-4-oxo-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethylbenzonitrile IUPAC Name: 4-[[5-bromo-2-[(4-cyanophenyl)methyl]-4-oxo-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethylbenzonitrile Traditional Name: 4-[[5-bromo-2-(4-cyanobenzyl)-4-keto-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethyl-benzonitrile Formula: C21H15BrN4O3S MolecularWeight: 483.3378

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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)Br)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)Br)C)C#N

InChI

InChI=1S/C21H15BrN4O3S/c1-12-7-16(11-24)8-13(2)19(12)30(28,29)21-18(22)20(27)25-17(26-21)9-14-3-5-15(10-23)6-4-14/h3-8H,9H2,1-2H3,(H,25,26,27)