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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-(1,1-dioxo-3-thiolanyl)-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-(1,1-diketothiolan-3-yl)-3-methyl-pyrazole-4-carboxamide Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2CCS(=O)(=O)C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2CCS(=O)(=O)C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C16H18ClN3O3S/c1-11-14(16(21)18-13-7-8-24(22,23)10-13)15(17)20(19-11)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,18,21)