N-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]-1,1-bis(oxidanylidene)thiolane-3-carboxamide

Systemtic Name: N-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]-1,1-bis(oxidanylidene)thiolane-3-carboxamide Openeye Name: N-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-1,1-dioxo-thiolane-3-carboxamide CAS Name: N-[5-tert-butyl-2-(phenylmethyl)-3-pyrazolyl]-1,1-dioxo-3-thiolanecarboxamide IUPAC Name: N-(2-benzyl-5-tert-butylpyrazol-3-yl)-1,1-dioxothiolane-3-carboxamide Traditional Name: N-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-1,1-diketo-thiolane-3-carboxamide Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2CCS(=O)(=O)C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2CCS(=O)(=O)C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O3S/c1-19(2,3)16-11-17(20-18(23)15-9-10-26(24,25)13-15)22(21-16)12-14-7-5-4-6-8-14/h4-8,11,15H,9-10,12-13H2,1-3H3,(H,20,23)