1,1-bis(oxidanylidene)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine

Systemtic Name: 1,1-bis(oxidanylidene)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine Openeye Name: 1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine CAS Name: 1,1-dioxo-N-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-4-thianamine IUPAC Name: 1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine Traditional Name: (1,1-diketothian-4-yl)-[(1,3,5-trimethylpyrazol-4-yl)methyl]amine Formula: C12H21N3O2S MolecularWeight: 271.37904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNC2CCS(=O)(=O)CC2

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC2CCS(=O)(=O)CC2

InChI

InChI=1S/C12H21N3O2S/c1-9-12(10(2)15(3)14-9)8-13-11-4-6-18(16,17)7-5-11/h11,13H,4-8H2,1-3H3