N-[(4-pentoxyphenyl)carbamothioyl]-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-[(4-pentoxyphenyl)carbamothioyl]-2-phenyl-pyrazole-3-carboxamide Openeye Name: N-[(4-pentoxyphenyl)carbamothioyl]-2-phenyl-pyrazole-3-carboxamide CAS Name: N-[(4-pentoxyanilino)-sulfanylidenemethyl]-2-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[(4-pentoxyphenyl)carbamothioyl]-2-phenylpyrazole-3-carboxamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-2-phenyl-pyrazole-3-carboxamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=NN2C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2S/c1-2-3-7-16-28-19-12-10-17(11-13-19)24-22(29)25-21(27)20-14-15-23-26(20)18-8-5-4-6-9-18/h4-6,8-15H,2-3,7,16H2,1H3,(H2,24,25,27,29)