1-(4-chloranyl-1-methyl-5-methylsulfonyl-pyrazol-3-yl)-5-(1,3-dioxan-2-yl)pyrazole-4-carbonitrile

Systemtic Name: 1-(4-chloranyl-1-methyl-5-methylsulfonyl-pyrazol-3-yl)-5-(1,3-dioxan-2-yl)pyrazole-4-carbonitrile Openeye Name: 1-(4-chloro-1-methyl-5-methylsulfonyl-pyrazol-3-yl)-5-(1,3-dioxan-2-yl)pyrazole-4-carbonitrile CAS Name: 1-(4-chloro-1-methyl-5-methylsulfonyl-3-pyrazolyl)-5-(1,3-dioxan-2-yl)-4-pyrazolecarbonitrile IUPAC Name: 1-(4-chloro-1-methyl-5-methylsulfonylpyrazol-3-yl)-5-(1,3-dioxan-2-yl)pyrazole-4-carbonitrile Traditional Name: 1-(4-chloro-5-mesyl-1-methyl-pyrazol-3-yl)-5-(1,3-dioxan-2-yl)pyrazole-4-carbonitrile Formula: C13H14ClN5O4S MolecularWeight: 371.79936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)N2C(=C(C=N2)C#N)C3OCCCO3)Cl)S(=O)(=O)C

Isomeric SMILES

CN1C(=C(C(=N1)N2C(=C(C=N2)C#N)C3OCCCO3)Cl)S(=O)(=O)C

InChI

InChI=1S/C13H14ClN5O4S/c1-18-12(24(2,20)21)9(14)11(17-18)19-10(8(6-15)7-16-19)13-22-4-3-5-23-13/h7,13H,3-5H2,1-2H3