N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-N-methyl-4-propan-2-yl-benzamide

Systemtic Name: N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-N-methyl-4-propan-2-yl-benzamide Openeye Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-4-isopropyl-N-methyl-benzamide CAS Name: N-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl]-N-methyl-4-propan-2-ylbenzamide IUPAC Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-4-propan-2-ylbenzamide Traditional Name: N-[[1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-4-isopropyl-N-methyl-benzamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H29N3O3S/c1-14(2)17-6-8-18(9-7-17)21(25)23(5)12-20-15(3)22-24(16(20)4)19-10-11-28(26,27)13-19/h6-9,14,19H,10-13H2,1-5H3