2-[3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethanenitrile Openeye Name: 2-[3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetonitrile CAS Name: 2-[[3-(4-chlorophenyl)-2,5-dimethyl-7-pyrazolo[1,5-a]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]thio]acetonitrile Formula: C16H13ClN4S MolecularWeight: 328.81922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)SCC#N)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)SCC#N)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN4S/c1-10-9-14(22-8-7-18)21-16(19-10)15(11(2)20-21)12-3-5-13(17)6-4-12/h3-6,9H,8H2,1-2H3