2-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]benzenecarbonitrile

Systemtic Name: 2-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]benzenecarbonitrile Openeye Name: 2-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]benzonitrile CAS Name: 2-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl-methylamino]benzonitrile IUPAC Name: 2-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]benzonitrile Traditional Name: 2-[[1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]benzonitrile Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H22N4O2S/c1-13-17(11-21(3)18-7-5-4-6-15(18)10-19)14(2)22(20-13)16-8-9-25(23,24)12-16/h4-7,16H,8-9,11-12H2,1-3H3