2-fluoranyl-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 2-fluoranyl-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 2-fluoro-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 2-fluoro-N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-fluoro-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 2-fluoro-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C25H18FN5OS MolecularWeight: 455.506723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC=C3F)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC=C3F)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H18FN5OS/c1-15-13-21-22(30-31(29-21)23-12-6-8-16-7-2-3-9-17(16)23)14-20(15)27-25(33)28-24(32)18-10-4-5-11-19(18)26/h2-14H,1H3,(H2,27,28,32,33)