N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]chromane-3-carboxamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]chroman-3-carboxamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2CC3=CC=CC=C3OC2)C4CCS(=O)(=O)C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2CC3=CC=CC=C3OC2)C4CCS(=O)(=O)C4

InChI

InChI=1S/C21H27N3O4S/c1-21(2,3)18-11-19(24(23-18)16-8-9-29(26,27)13-16)22-20(25)15-10-14-6-4-5-7-17(14)28-12-15/h4-7,11,15-16H,8-10,12-13H2,1-3H3,(H,22,25)