1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-bromanyl-4-methyl-phenyl)-5-cyclopropyl-pyrazole-3-carboxamide

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-bromanyl-4-methyl-phenyl)-5-cyclopropyl-pyrazole-3-carboxamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide CAS Name: N-(3-bromo-4-methylphenyl)-5-cyclopropyl-1-[(3S)-1,1-dioxo-3-thiolanyl]-3-pyrazolecarboxamide IUPAC Name: N-(3-bromo-4-methylphenyl)-5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-5-cyclopropyl-1-[(3S)-1,1-diketothiolan-3-yl]pyrazole-3-carboxamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=C2)C3CC3)C4CCS(=O)(=O)C4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=C2)C3CC3)[C@H]4CCS(=O)(=O)C4)Br

InChI

InChI=1S/C18H20BrN3O3S/c1-11-2-5-13(8-15(11)19)20-18(23)16-9-17(12-3-4-12)22(21-16)14-6-7-26(24,25)10-14/h2,5,8-9,12,14H,3-4,6-7,10H2,1H3,(H,20,23)/t14-/m0/s1