2-[5-methyl-1-phenyl-4-(2-phenylazanylpyrimidin-4-yl)pyrazol-3-yl]sulfanylethanenitrile

Systemtic Name: 2-[5-methyl-1-phenyl-4-(2-phenylazanylpyrimidin-4-yl)pyrazol-3-yl]sulfanylethanenitrile Openeye Name: 2-[4-(2-anilinopyrimidin-4-yl)-5-methyl-1-phenyl-pyrazol-3-yl]sulfanylacetonitrile CAS Name: 2-[[4-(2-anilino-4-pyrimidinyl)-5-methyl-1-phenyl-3-pyrazolyl]thio]acetonitrile IUPAC Name: 2-[4-(2-anilinopyrimidin-4-yl)-5-methyl-1-phenylpyrazol-3-yl]sulfanylacetonitrile Traditional Name: 2-[[4-(2-anilinopyrimidin-4-yl)-5-methyl-1-phenyl-pyrazol-3-yl]thio]acetonitrile Formula: C22H18N6S MolecularWeight: 398.48352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SCC#N)C3=NC(=NC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SCC#N)C3=NC(=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C22H18N6S/c1-16-20(19-12-14-24-22(26-19)25-17-8-4-2-5-9-17)21(29-15-13-23)27-28(16)18-10-6-3-7-11-18/h2-12,14H,15H2,1H3,(H,24,25,26)