3-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methylamino]propanenitrile

Systemtic Name: 3-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methylamino]propanenitrile Openeye Name: 3-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methylamino]propanenitrile CAS Name: 3-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methylamino]propanenitrile IUPAC Name: 3-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methylamino]propanenitrile Traditional Name: 3-[[1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methylamino]propionitrile Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CNCCC#N

Isomeric SMILES

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CNCCC#N

InChI

InChI=1S/C13H20N4O2S/c1-10-13(8-15-6-3-5-14)11(2)17(16-10)12-4-7-20(18,19)9-12/h12,15H,3-4,6-9H2,1-2H3