3-(3,5-dimethyl-4-pyrimidin-2-ylsulfanyl-pyrazol-1-yl)propanenitrile

Systemtic Name: 3-(3,5-dimethyl-4-pyrimidin-2-ylsulfanyl-pyrazol-1-yl)propanenitrile Openeye Name: 3-(3,5-dimethyl-4-pyrimidin-2-ylsulfanyl-pyrazol-1-yl)propanenitrile CAS Name: 3-[3,5-dimethyl-4-(2-pyrimidinylthio)-1-pyrazolyl]propanenitrile IUPAC Name: 3-(3,5-dimethyl-4-pyrimidin-2-ylsulfanylpyrazol-1-yl)propanenitrile Traditional Name: 3-[3,5-dimethyl-4-(2-pyrimidylthio)pyrazol-1-yl]propionitrile Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)SC2=NC=CC=N2

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)SC2=NC=CC=N2

InChI

InChI=1S/C12H13N5S/c1-9-11(18-12-14-6-4-7-15-12)10(2)17(16-9)8-3-5-13/h4,6-7H,3,8H2,1-2H3