3-fluoranyl-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 3-fluoranyl-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-fluoro-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3-fluoro-N-[[[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-fluoro-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-fluoro-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C22H18FN5OS MolecularWeight: 419.474623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C22H18FN5OS/c1-13-6-8-17(9-7-13)28-26-19-10-14(2)18(12-20(19)27-28)24-22(30)25-21(29)15-4-3-5-16(23)11-15/h3-12H,1-2H3,(H2,24,25,29,30)