N-[1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-4-yl]-1H-pyrazol-4-amine

Systemtic Name: N-[1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-4-yl]-1H-pyrazol-4-amine Openeye Name: N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazol-4-amine CAS Name: N-(1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1H-pyrazol-4-amine IUPAC Name: N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazol-4-amine Traditional Name: (1,1-diketo-3,4-dihydro-2H-thiochromen-4-yl)-(1H-pyrazol-4-yl)amine Formula: C12H13N3O2S MolecularWeight: 263.31552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)C2=CC=CC=C2C1NC3=CNN=C3

Isomeric SMILES

C1CS(=O)(=O)C2=CC=CC=C2C1NC3=CNN=C3

InChI

InChI=1S/C12H13N3O2S/c16-18(17)6-5-11(15-9-7-13-14-8-9)10-3-1-2-4-12(10)18/h1-4,7-8,11,15H,5-6H2,(H,13,14)