5-methyl-2-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-methyl-2-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-methyl-2-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]triazole-4-carboxamide CAS Name: 5-methyl-2-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-4-triazolecarboxamide IUPAC Name: 5-methyl-2-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]triazole-4-carboxamide Traditional Name: 5-methyl-2-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]triazole-4-carboxamide Formula: C22H18N8OS MolecularWeight: 442.49632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(N=C1C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4)C5=CC=CC=C5

InChI

InChI=1S/C22H18N8OS/c1-14-19(29-30(28-14)17-8-3-2-4-9-17)21(31)26-16-7-5-6-15(10-16)12-32-22-18-11-25-27-20(18)23-13-24-22/h2-11,13H,12H2,1H3,(H,26,31)(H,23,24,25,27)