4-iodanyl-2-methyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 4-iodanyl-2-methyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: N-[(4-benzyloxyphenyl)carbamothioyl]-4-iodo-2-methyl-pyrazole-3-carboxamide CAS Name: 4-iodo-2-methyl-N-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 4-iodo-2-methyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazole-3-carboxamide Traditional Name: N-[(4-benzoxyphenyl)thiocarbamoyl]-4-iodo-2-methyl-pyrazole-3-carboxamide Formula: C19H17IN4O2S MolecularWeight: 492.33335

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)I)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)I)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C19H17IN4O2S/c1-24-17(16(20)11-21-24)18(25)23-19(27)22-14-7-9-15(10-8-14)26-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H2,22,23,25,27)