N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide CAS Name: N-[[[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide Traditional Name: N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-methoxy-benzamide Formula: C22H18FN5O2S MolecularWeight: 435.474023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)F

InChI

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