4-[5-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(p-tolylsulfonyl)-6-(3-pyridyl)-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(4-methylphenyl)sulfonyl-6-(3-pyridinyl)-1H-pyrimidin-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[6-(3-pyridyl)-5-tosyl-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(NC(=C3C=CC(=O)C=C3)N=C2)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(NC(=C3C=CC(=O)C=C3)N=C2)C4=CN=CC=C4

InChI

InChI=1S/C22H17N3O3S/c1-15-4-10-19(11-5-15)29(27,28)20-14-24-22(16-6-8-18(26)9-7-16)25-21(20)17-3-2-12-23-13-17/h2-14,25H,1H3