1-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-1-(1,1-dioxothiolan-3-yl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-1-(1,1-dioxo-3-thiolanyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-1-(1,1-dioxothiolan-3-yl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-1-(1,1-diketothiolan-3-yl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=NN(C(=C2)C3=CC=CS3)C4CCS(=O)(=O)C4

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=NN(C(=C2)C3=CC=CS3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C20H25N3O3S2/c24-20(21-10-8-15-5-2-1-3-6-15)17-13-18(19-7-4-11-27-19)23(22-17)16-9-12-28(25,26)14-16/h4-5,7,11,13,16H,1-3,6,8-10,12,14H2,(H,21,24)