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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)CC1CNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O3S/c21-17(18-10-15-8-9-24(22,23)13-15)7-6-14-11-19-20(12-14)16-4-2-1-3-5-16/h1-5,11-12,15H,6-10,13H2,(H,18,21)