2-chloranyl-6-[3,5-dimethyl-4-(methylsulfanylmethyl)pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[3,5-dimethyl-4-(methylsulfanylmethyl)pyrazol-1-yl]benzenecarbonitrile Openeye Name: 2-chloro-6-[3,5-dimethyl-4-(methylsulfanylmethyl)pyrazol-1-yl]benzonitrile CAS Name: 2-chloro-6-[3,5-dimethyl-4-[(methylthio)methyl]-1-pyrazolyl]benzonitrile IUPAC Name: 2-chloro-6-[3,5-dimethyl-4-(methylsulfanylmethyl)pyrazol-1-yl]benzonitrile Traditional Name: 2-chloro-6-[3,5-dimethyl-4-[(methylthio)methyl]pyrazol-1-yl]benzonitrile Formula: C14H14ClN3S MolecularWeight: 291.79906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=C(C(=CC=C2)Cl)C#N)C)CSC

Isomeric SMILES

CC1=C(C(=NN1C2=C(C(=CC=C2)Cl)C#N)C)CSC

InChI

InChI=1S/C14H14ClN3S/c1-9-12(8-19-3)10(2)18(17-9)14-6-4-5-13(15)11(14)7-16/h4-6H,8H2,1-3H3