N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C22H24FN5O2S MolecularWeight: 441.521663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=NN(N=C2C)C3=CC=CC=C3)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=NN(N=C2C)C3=CC=CC=C3)F

InChI

InChI=1S/C22H24FN5O2S/c1-3-4-8-13-30-19-12-11-16(14-18(19)23)24-22(31)25-21(29)20-15(2)26-28(27-20)17-9-6-5-7-10-17/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H2,24,25,29,31)