5-(4-methylphenyl)sulfonyl-4-pyridin-2-yl-2-pyridin-3-yl-pyrimidine

Systemtic Name: 5-(4-methylphenyl)sulfonyl-4-pyridin-2-yl-2-pyridin-3-yl-pyrimidine Openeye Name: 5-(p-tolylsulfonyl)-4-(2-pyridyl)-2-(3-pyridyl)pyrimidine CAS Name: 5-(4-methylphenyl)sulfonyl-4-(2-pyridinyl)-2-(3-pyridinyl)pyrimidine IUPAC Name: 5-(4-methylphenyl)sulfonyl-4-pyridin-2-yl-2-pyridin-3-ylpyrimidine Traditional Name: 4-(2-pyridyl)-2-(3-pyridyl)-5-tosyl-pyrimidine Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2C3=CC=CC=N3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2C3=CC=CC=N3)C4=CN=CC=C4

InChI

InChI=1S/C21H16N4O2S/c1-15-7-9-17(10-8-15)28(26,27)19-14-24-21(16-5-4-11-22-13-16)25-20(19)18-6-2-3-12-23-18/h2-14H,1H3