4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C22H17FN6O4S MolecularWeight: 480.471583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H17FN6O4S/c1-2-33-20-10-3-13(11-19(20)29(31)32)21(30)25-22(34)24-15-6-9-17-18(12-15)27-28(26-17)16-7-4-14(23)5-8-16/h3-12H,2H2,1H3,(H2,24,25,30,34)