4-(benzotriazol-1-ylmethyl)-N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]benzamide Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)C5CCS(=O)(=O)C5

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)C5CCS(=O)(=O)C5

InChI

InChI=1S/C25H28N6O3S/c1-25(2,3)22-14-23(31(28-22)19-12-13-35(33,34)16-19)26-24(32)18-10-8-17(9-11-18)15-30-21-7-5-4-6-20(21)27-29-30/h4-11,14,19H,12-13,15-16H2,1-3H3,(H,26,32)