[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C21H18N2O5S3 MolecularWeight: 474.57302

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C21H18N2O5S3/c1-31(26,27)15-8-6-14(7-9-15)21(25)28-13-20(24)23-17(19-5-3-11-30-19)12-16(22-23)18-4-2-10-29-18/h2-11,17H,12-13H2,1H3