N-(furan-2-ylmethyl)-2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidine-1-carbothioamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidine-1-carbothioamide Openeye Name: N-(2-furylmethyl)-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioamide CAS Name: N-(2-furanylmethyl)-2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioamide Traditional Name: N-(2-furfuryl)-2-[2-(4-mesylphenyl)acetyl]pyrazolidine-1-carbothioamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCCN2C(=S)NCC3=CC=CO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCCN2C(=S)NCC3=CC=CO3

InChI

InChI=1S/C18H21N3O4S2/c1-27(23,24)16-7-5-14(6-8-16)12-17(22)20-9-3-10-21(20)18(26)19-13-15-4-2-11-25-15/h2,4-8,11H,3,9-10,12-13H2,1H3,(H,19,26)