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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-methyl-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-(1,1-diketothiolan-3-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)propionamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O3S/c1-19(16-9-10-24(22,23)13-16)17(21)8-7-14-11-18-20(12-14)15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13H2,1H3