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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NCC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)CC1NCC2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C15H19N3O2S/c19-21(20)7-6-15(12-21)16-8-14-9-17-18(11-14)10-13-4-2-1-3-5-13/h1-5,9,11,15-16H,6-8,10,12H2