N-methyl-1,1-bis(oxidanylidene)-N-[(1-phenylpyrazol-4-yl)methyl]thiolan-3-amine

Systemtic Name: N-methyl-1,1-bis(oxidanylidene)-N-[(1-phenylpyrazol-4-yl)methyl]thiolan-3-amine Openeye Name: N-methyl-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolan-3-amine CAS Name: N-methyl-1,1-dioxo-N-[(1-phenyl-4-pyrazolyl)methyl]-3-thiolanamine IUPAC Name: N-methyl-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolan-3-amine Traditional Name: (1,1-diketothiolan-3-yl)-methyl-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C15H19N3O2S MolecularWeight: 305.39526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C3CCS(=O)(=O)C3

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C15H19N3O2S/c1-17(15-7-8-21(19,20)12-15)10-13-9-16-18(11-13)14-5-3-2-4-6-14/h2-6,9,11,15H,7-8,10,12H2,1H3