(3R)-N-methyl-1,1-bis(oxidanylidene)-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide

Systemtic Name: (3R)-N-methyl-1,1-bis(oxidanylidene)-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide Openeye Name: (3R)-N-methyl-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide CAS Name: (3R)-N-methyl-1,1-dioxo-N-[(1-phenyl-4-pyrazolyl)methyl]-3-thiolanecarboxamide IUPAC Name: (3R)-N-methyl-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide Traditional Name: (3R)-1,1-diketo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C16H19N3O3S/c1-18(16(20)14-7-8-23(21,22)12-14)10-13-9-17-19(11-13)15-5-3-2-4-6-15/h2-6,9,11,14H,7-8,10,12H2,1H3/t14-/m0/s1