1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-cyclopropyl-N-(phenylmethyl)pyrazole-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=CC(=N2)C(=O)NCC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C18H21N3O3S/c22-18(19-11-13-4-2-1-3-5-13)16-10-17(14-6-7-14)21(20-16)15-8-9-25(23,24)12-15/h1-5,10,14-15H,6-9,11-12H2,(H,19,22)/t15-/m0/s1