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

Systemtic Name: N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[(1,1-dioxothiolan-3-yl)methyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[(1,1-dioxo-3-thiolanyl)methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[(1,1-dioxothiolan-3-yl)methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[(1,1-diketothiolan-3-yl)methyl]-4-pyrazol-1-yl-benzamide Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CNC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1CS(=O)(=O)CC1CNC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C15H17N3O3S/c19-15(16-10-12-6-9-22(20,21)11-12)13-2-4-14(5-3-13)18-8-1-7-17-18/h1-5,7-8,12H,6,9-11H2,(H,16,19)