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

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,1-bis(oxidanylidene)thiolane-3-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,1-dioxo-thiolane-3-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-1,1-dioxo-3-thiolanecarboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,1-diketo-thiolane-3-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)CC1C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S/c25-21(17-11-12-28(26,27)15-17)22-13-18-14-24(19-9-5-2-6-10-19)23-20(18)16-7-3-1-4-8-16/h1-10,14,17H,11-13,15H2,(H,22,25)