2-[(3-methylsulfonylphenyl)amino]-4-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(3-methylsulfonylphenyl)amino]-4-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-(3-methylsulfonylanilino)-4-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-(3-methylsulfonylanilino)-4-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(3-methylsulfonylanilino)-4-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(3-mesylanilino)-4-phenyl-pyrimidine-5-carbonitrile Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC2=NC=C(C(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC2=NC=C(C(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C18H14N4O2S/c1-25(23,24)16-9-5-8-15(10-16)21-18-20-12-14(11-19)17(22-18)13-6-3-2-4-7-13/h2-10,12H,1H3,(H,20,21,22)