[(3S,4R)-1,1-bis(oxidanylidene)-4-thiocyanato-thiolan-3-yl]-(2-methylpropyl)azanium

Systemtic Name: [(3S,4R)-1,1-bis(oxidanylidene)-4-thiocyanato-thiolan-3-yl]-(2-methylpropyl)azanium Openeye Name: [(3S,4R)-1,1-dioxo-4-thiocyanato-thiolan-3-yl]-isobutyl-ammonium CAS Name: [(3S,4R)-1,1-dioxo-4-thiocyanato-3-thiolanyl]-(2-methylpropyl)ammonium IUPAC Name: [(3S,4R)-1,1-dioxo-4-thiocyanatothiolan-3-yl]-(2-methylpropyl)azanium Traditional Name: [(3S,4R)-1,1-diketo-4-thiocyanato-thiolan-3-yl]-isobutyl-ammonium Formula: C9H17N2O2S2+ MolecularWeight: 249.37348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]C1CS(=O)(=O)CC1SC#N

Isomeric SMILES

CC(C)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1SC#N

InChI

InChI=1S/C9H16N2O2S2/c1-7(2)3-11-8-4-15(12,13)5-9(8)14-6-10/h7-9,11H,3-5H2,1-2H3/p+1/t8-,9-/m0/s1