2-(carbamothioylhydrazinylidene)-N-(2-ethoxyphenyl)-2-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)ethanamide

Systemtic Name: 2-(carbamothioylhydrazinylidene)-N-(2-ethoxyphenyl)-2-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)ethanamide Openeye Name: 2-(carbamothioylhydrazono)-N-(2-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)acetamide CAS Name: 2-(carbamothioylhydrazinylidene)-N-(2-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)acetamide IUPAC Name: 2-(carbamothioylhydrazinylidene)-N-(2-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)acetamide Traditional Name: 2-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)-N-o-phenetyl-2-(thiocarbamoylhydrazono)acetamide Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(=NNC(=S)N)C2C(=NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(=NNC(=S)N)C2C(=NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N6O3S/c1-3-30-16-12-8-7-11-15(16)23-19(28)18(24-25-21(22)31)17-13(2)26-27(20(17)29)14-9-5-4-6-10-14/h4-12,17H,3H2,1-2H3,(H,23,28)(H3,22,25,31)