N-[(2-ethoxyphenyl)methyl]-1-methyl-5,5-bis(oxidanylidene)-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-1-methyl-5,5-bis(oxidanylidene)-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-1-methyl-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-1-methyl-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-1-methyl-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Traditional Name: N-(2-ethoxybenzyl)-5,5-diketo-1-methyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2=NN(C3=C2CS(=O)(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2=NN(C3=C2CS(=O)(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H21N3O4S/c1-3-28-17-10-6-4-8-14(17)12-22-21(25)19-16-13-29(26,27)18-11-7-5-9-15(18)20(16)24(2)23-19/h4-11H,3,12-13H2,1-2H3,(H,22,25)