N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-3-(4-methoxyphenyl)propanamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-3-(4-methoxyphenyl)propionamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CCC2=CC=C(C=C2)OC)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CCC2=CC=C(C=C2)OC)C3CCS(=O)(=O)C3

InChI

InChI=1S/C21H29N3O4S/c1-21(2,3)18-13-19(24(23-18)16-11-12-29(26,27)14-16)22-20(25)10-7-15-5-8-17(28-4)9-6-15/h5-6,8-9,13,16H,7,10-12,14H2,1-4H3,(H,22,25)