1-(4-methylphenyl)sulfonyl-5-oxidanylidene-7-phenyl-2,4,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carbonitrile

Systemtic Name: 1-(4-methylphenyl)sulfonyl-5-oxidanylidene-7-phenyl-2,4,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 5-oxo-7-phenyl-1-(p-tolylsulfonyl)-2,4,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 1-(4-methylphenyl)sulfonyl-5-oxo-7-phenyl-2,4,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carbonitrile IUPAC Name: 1-(4-methylphenyl)sulfonyl-5-oxo-7-phenyl-2,4,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 5-keto-7-phenyl-1-tosyl-2,4,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C3N2C(C(C(=O)N3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C3N2C(C(C(=O)N3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3S/c1-14-7-9-16(10-8-14)28(26,27)23-12-11-18-22-20(25)17(13-21)19(24(18)23)15-5-3-2-4-6-15/h2-11,17,19H,12H2,1H3,(H,22,25)