1-(4-chloranyl-1-methyl-5-methylsulfonyl-pyrazol-3-yl)-5-(diethoxymethyl)pyrazole-4-carbonitrile

Systemtic Name: 1-(4-chloranyl-1-methyl-5-methylsulfonyl-pyrazol-3-yl)-5-(diethoxymethyl)pyrazole-4-carbonitrile Openeye Name: 1-(4-chloro-1-methyl-5-methylsulfonyl-pyrazol-3-yl)-5-(diethoxymethyl)pyrazole-4-carbonitrile CAS Name: 1-(4-chloro-1-methyl-5-methylsulfonyl-3-pyrazolyl)-5-(diethoxymethyl)-4-pyrazolecarbonitrile IUPAC Name: 1-(4-chloro-1-methyl-5-methylsulfonylpyrazol-3-yl)-5-(diethoxymethyl)pyrazole-4-carbonitrile Traditional Name: 1-(4-chloro-5-mesyl-1-methyl-pyrazol-3-yl)-5-(diethoxymethyl)pyrazole-4-carbonitrile Formula: C14H18ClN5O4S MolecularWeight: 387.84182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=C(C=NN1C2=NN(C(=C2Cl)S(=O)(=O)C)C)C#N)OCC

Isomeric SMILES

CCOC(C1=C(C=NN1C2=NN(C(=C2Cl)S(=O)(=O)C)C)C#N)OCC

InChI

InChI=1S/C14H18ClN5O4S/c1-5-23-14(24-6-2)11-9(7-16)8-17-20(11)12-10(15)13(19(3)18-12)25(4,21)22/h8,14H,5-6H2,1-4H3