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

Systemtic Name: 4-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2,3-thiadiazole-5-carboxamide Openeye Name: 4-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiadiazole-5-carboxamide CAS Name: 4-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-5-thiadiazolecarboxamide IUPAC Name: 4-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiadiazole-5-carboxamide Traditional Name: 4-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]thiadiazole-5-carboxamide Formula: C21H15N7OS2 MolecularWeight: 445.5201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SN=N2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SN=N2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C21H15N7OS2/c29-20(18-17(26-28-31-18)14-6-2-1-3-7-14)25-15-8-4-5-13(9-15)11-30-21-16-10-24-27-19(16)22-12-23-21/h1-10,12H,11H2,(H,25,29)(H,22,23,24,27)