N-(1H-benzimidazol-2-ylmethyl)-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-cyclopropyl-pyrazole-3-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-cyclopropyl-pyrazole-3-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-5-cyclopropyl-1-[(3S)-1,1-dioxo-3-thiolanyl]-3-pyrazolecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-5-cyclopropyl-1-[(3S)-1,1-diketothiolan-3-yl]pyrazole-3-carboxamide Formula: C19H21N5O3S MolecularWeight: 399.46674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=CC(=N2)C(=O)NCC3=NC4=CC=CC=C4N3)C5CC5

InChI

InChI=1S/C19H21N5O3S/c25-19(20-10-18-21-14-3-1-2-4-15(14)22-18)16-9-17(12-5-6-12)24(23-16)13-7-8-28(26,27)11-13/h1-4,9,12-13H,5-8,10-11H2,(H,20,25)(H,21,22)/t13-/m0/s1