N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2,5-diphenyl-pyrazole-3-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2,5-diphenyl-pyrazole-3-carboxamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-2,5-diphenyl-pyrazole-3-carboxamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-methyl-2,5-diphenyl-3-pyrazolecarboxamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-2,5-diphenylpyrazole-3-carboxamide Traditional Name: N-(1,1-diketothiolan-3-yl)-N-methyl-2,5-diphenyl-pyrazole-3-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S/c1-23(18-12-13-28(26,27)15-18)21(25)20-14-19(16-8-4-2-5-9-16)22-24(20)17-10-6-3-7-11-17/h2-11,14,18H,12-13,15H2,1H3