N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-(o-tolyl)pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-N-(1,1-dioxo-3-thiolanyl)-1-(2-methylphenyl)-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-N-(1,1-diketothiolan-3-yl)-1-(o-tolyl)pyrazole-4-carboxamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NC3CCS(=O)(=O)C3)C4CC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NC3CCS(=O)(=O)C3)C4CC4

InChI

InChI=1S/C18H21N3O3S/c1-12-4-2-3-5-16(12)21-17(13-6-7-13)15(10-19-21)18(22)20-14-8-9-25(23,24)11-14/h2-5,10,13-14H,6-9,11H2,1H3,(H,20,22)