N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C22H18FN5O2S MolecularWeight: 435.474023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN5O2S/c1-2-30-18-10-8-17(9-11-18)28-26-19-12-7-16(13-20(19)27-28)24-22(31)25-21(29)14-3-5-15(23)6-4-14/h3-13H,2H2,1H3,(H2,24,25,29,31)