N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-5-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-5-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-butyl-N-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-butyl-N-(1,1-dioxo-3-thiolanyl)-5-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-butyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-butyl-N-(1,1-diketothiolan-3-yl)-5-methyl-pyrazole-4-carboxamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=C(N(N=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=C(N(N=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H27N3O3S/c1-3-4-11-22(18-10-12-27(25,26)15-18)20(24)19-13-21-23(16(19)2)14-17-8-6-5-7-9-17/h5-9,13,18H,3-4,10-12,14-15H2,1-2H3