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

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-1-ethyl-benzotriazole-5-carboxamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-1-ethyl-benzotriazole-5-carboxamide Formula: C20H26N6O3S MolecularWeight: 430.52384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=NN3C4CCS(=O)(=O)C4)C(C)(C)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=NN3C4CCS(=O)(=O)C4)C(C)(C)C)N=N1

InChI

InChI=1S/C20H26N6O3S/c1-5-25-16-7-6-13(10-15(16)22-24-25)19(27)21-18-11-17(20(2,3)4)23-26(18)14-8-9-30(28,29)12-14/h6-7,10-11,14H,5,8-9,12H2,1-4H3,(H,21,27)