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

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-5-bromanyl-thiophene-2-carboxamide Openeye Name: 5-bromo-N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]thiophene-2-carboxamide Formula: C16H20BrN3O3S2 MolecularWeight: 446.3823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=C(S2)Br)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=C(S2)Br)C3CCS(=O)(=O)C3

InChI

InChI=1S/C16H20BrN3O3S2/c1-16(2,3)12-8-14(18-15(21)11-4-5-13(17)24-11)20(19-12)10-6-7-25(22,23)9-10/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,21)