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

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]thiophene-3-carboxamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]thiophene-3-carboxamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-3-thiophenecarboxamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]thiophene-3-carboxamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]thiophene-3-carboxamide Formula: C16H21N3O3S2 MolecularWeight: 367.48624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CSC=C2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CSC=C2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C16H21N3O3S2/c1-16(2,3)13-8-14(17-15(20)11-4-6-23-9-11)19(18-13)12-5-7-24(21,22)10-12/h4,6,8-9,12H,5,7,10H2,1-3H3,(H,17,20)