2-[4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-1-yl]ethanenitrile

Systemtic Name: 2-[4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-1-yl]ethanenitrile Openeye Name: 2-[4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-1-yl]acetonitrile CAS Name: 2-[4-[(4-chlorophenyl)methylthio]-1-pyrazolo[3,4-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-1-yl]acetonitrile Traditional Name: 2-[4-[(4-chlorobenzyl)thio]pyrazolo[3,4-d]pyrimidin-1-yl]acetonitrile Formula: C14H10ClN5S MolecularWeight: 315.7807

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NC3=C2C=NN3CC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NC3=C2C=NN3CC#N)Cl

InChI

InChI=1S/C14H10ClN5S/c15-11-3-1-10(2-4-11)8-21-14-12-7-19-20(6-5-16)13(12)17-9-18-14/h1-4,7,9H,6,8H2